2698-41-1

• 常用中文名：邻氯亚苄基丙二腈
• 常用英文名：CS gas
• CAS号：2698-41-1
• 分子式：C₁₀H₅ClN₂
• 分子量：188.613
• 相关类别： 化学试剂 有机试剂 氰化物/腈
• 发布时间：2018-03-17 08:00:00
• 更新时间：2024-01-09 22:08:18

名称

• 中文名: 2-氯苯亚甲基丙二腈
• 英文名: 2-[(2-chlorophenyl)methylidene]propanedinitrile
• 中文别名: 邻氯苄叉缩丙二腈
• 英文别名: (2-chlorobenzylidene)propanedinitrile; β,β-Dicyano-o-chlorostyrene; 2-Chlorobenzylidenemalononitrile; o-Chlorobenzalmalononitrile; ortho-chlorophenylmethylene-malononitrile; EINECS 220-278-9; [(2-chlorophenyl)methylidene]propanedinitrile; b,b-Dicyano-o-chlorostyrene; o-Chlorobenzylidenemalonic nitrile; Alonitrile; propanedinitrile, [(2-chlorophenyl)methylene]-; [(2-Chlorophenyl)methylene]malononitrile; (2-Chlorobenzylidene)malononitrile; 2-chlorobenzalmalononitrile; MFCD00134407; 2-(2-chlorophenylmethylene)malononitrile; CS (lacrimator); ortho-chlorobenzalmalononitrile; Propanedinitrile, [(2-chlorophenyl)methylene]; Propanedinitrile, 2-[(2-chlorophenyl)methylene]-; 2-(2-chlorophenyl)-1,1-dicyanoethylene; 2-(2-Chlorobenzylidene)malononitrile; [(2-Chlorophenyl)methylene]propanedinitrile; Propanedinitrile, ((2-chlorophenyl)methylene)-; (o-Chlorobenzylidene)malononitrile; 2-Chlorobmn

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 312.5±0.0 °C at 760 mmHg
• 熔点: 95ºC
• 分子式: C₁₀H₅ClN₂
• 分子量: 188.613
• 闪点: 148.0±18.0 °C
• 精确质量: 188.014130
• PSA: 47.58000
• LogP: 2.35
• 外观性状: 白色结晶固体带有一种辛辣的气味
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.624
• 储存条件: 库房低温通风干燥,与食品原料,氧化剂分开存放,专人管理
• 稳定性: Stable. Incompatible with strong oxidizing agents. Combustible.
• 水溶解性: 0.1-0.5 g/100 mL at 16 ºC
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积:47.6

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:283

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: [(2-Chlorophenyl)methylene]malononitrile Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:[(2-Chlorophenyl)methylene]malononitrile CAS number:2698-41-1 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Store in closed vessels. Storage: Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data No data Melting point: Flash point:No data Density:No data Molecular formula:C10H5ClN2 Molecular weight:188.6 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : OO3675000 CHEMICAL NAME : Malononitrile, o-chlorobenzylidene- CAS REGISTRY NUMBER : 2698-41-1 BEILSTEIN REFERENCE NO. : 1866635 LAST UPDATED : 199712 DATA ITEMS CITED : 60 MOLECULAR FORMULA : C10-H5-Cl-N2 MOLECULAR WEIGHT : 188.62 WISWESSER LINE NOTATION : NCYCN&U1R BG HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Human TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Human - man TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Human - man TYPE OF TEST : Open irritation test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rat TYPE OF TEST : Open irritation test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit TYPE OF TEST : Open irritation test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - guinea pig TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - guinea pig TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Human DOSE/DURATION : 1500 ug/m3/90M TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - conjunctive irritation Lungs, Thorax, or Respiration - cough Lungs, Thorax, or Respiration - other changes TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 178 mg/kg TOXIC EFFECTS : Gastrointestinal - gastritis TYPE OF TEST : LCLo - Lowest published lethal concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1806 mg/m3/45M TOXIC EFFECTS : Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Lungs, Thorax, or Respiration - acute pulmonary edema Blood - hemorrhage TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 48 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 28 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation Kidney, Ureter, Bladder - other changes TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 282 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LCLo - Lowest published lethal concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2753 mg/m3/20M TOXIC EFFECTS : Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Lungs, Thorax, or Respiration - acute pulmonary edema Blood - hemorrhage TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 32320 ug/kg TOXIC EFFECTS : Immunological Including Allergic - decrease in humoral immune response TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >800 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 47700 ug/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes TYPE OF TEST : LCLo - Lowest published lethal concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 2600 mg/m3/23M TOXIC EFFECTS : Lungs, Thorax, or Respiration - other changes TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 143 mg/kg TOXIC EFFECTS : Behavioral - coma Lungs, Thorax, or Respiration - other changes Skin and Appendages - hair TYPE OF TEST : LCLo - Lowest published lethal concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 1802 mg/m3/10M TOXIC EFFECTS : Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Lungs, Thorax, or Respiration - acute pulmonary edema Blood - hemorrhage TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 32065 ug/kg TOXIC EFFECTS : Blood - other changes TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 8 mg/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - lacrimation Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 212 mg/kg TOXIC EFFECTS : Behavioral - coma Lungs, Thorax, or Respiration - other changes Skin and Appendages - hair TYPE OF TEST : LCLo - Lowest published lethal concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 2326 mg/m3/10M TOXIC EFFECTS : Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Lungs, Thorax, or Respiration - acute pulmonary edema Blood - hemorrhage TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 73 mg/kg TOXIC EFFECTS : Behavioral - coma Lungs, Thorax, or Respiration - other changes Skin and Appendages - hair TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 100 mg/m3/6H/14D-I TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - lacrimation Related to Chronic Data - death TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1500 ug/m3/6H/13W-I TOXIC EFFECTS : Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Endocrine - changes in thymus weight Nutritional and Gross Metabolic - weight loss or decreased weight gain TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 10 mg/m3/6H/14D-I TOXIC EFFECTS : Related to Chronic Data - death TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3 mg/m3/6H/13W-I TOXIC EFFECTS : Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 160 mg/kg/10D-I TOXIC EFFECTS : Liver - changes in liver weight Endocrine - changes in thymus weight Immunological Including Allergic - decrease in humoral immune response TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation DOSE : 6 mg/m3/5M SEX/DURATION : female 6-15 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) MUTATION DATA TYPE OF TEST : Sister chromatid exchange TEST SYSTEM : Rodent - hamster Lung REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 282,231,1992 *** REVIEWS *** ACGIH TLV-Not classifiable as a human carcinogen DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-CL 0.39 mg/m3 (0.05 ppm) (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 0.05 ppm (0.4 mg/m3) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,50,1971 OSHA PEL (Gen Indu):8H TWA 0.05 ppm (0.4 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 0.05 ppm (0.4 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 0.05 ppm (0.4 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 0.05 ppm (0.4 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 0.05 ppm (0.4 mg/m3);Skin JAN 1993 OEL-BELGIUM:STEL 0.05 ppm (0.4 mg/m3);Skin JAN 1993 OEL-DENMARK:STEL 0.05 ppm (0.4 mg/m3);Skin JAN 1993 OEL-FRANCE:STEL 0.05 ppm (0.4 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 0.05 ppm (0.4 mg/m3);Skin JAN 1993 OEL-THE PHILIPPINES:.TWA 05 ppm (0.4 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 0.05 ppm (0.4 mg/m3);Skin JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO o-CHLOROBENZYLIDENEMALONONITRILE-air:CL 0.05 ppm (Sk) REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992

安全

• 危害码 (欧洲): T:Toxic;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): 26-27-37/39-45-36/37/39
• 危险品运输编码: UN 2647
• WGK德国: 3
• RTECS号: OO3675000
• 包装等级: I
• 危险类别: 6.1(a)
• 海关编码: 2926909090

合成路线

89-98-5 109-77-3 ~98% 2698-41-1

文献：Kalbasi, Roozbeh Javad; Mosaddegh, Neda Catalysis Communications, 2011 , vol. 12, # 13 p. 1231 - 1237

89-98-5 98-86-2 109-77-3 ~0% 2698-41-1 详细

文献：Shaterian, Hamid Reza; Honarmand, Moones; Oveisi, Ali Reza Monatshefte fur Chemie, 2010 , vol. 141, # 5 p. 557 - 560

118-91-2 ~% 2698-41-1

文献：Harrison; Inch; Lawston; Ley; Sainsbury Journal of Labelled Compounds and Radiopharmaceuticals, 1978 , vol. 14, # 1 p. 141 - 148

17849-38-6 ~% 2698-41-1

文献：Harrison; Inch; Lawston; Ley; Sainsbury Journal of Labelled Compounds and Radiopharmaceuticals, 1978 , vol. 14, # 1 p. 141 - 148

上下游产品

上游产品  5
89-98-5 109-77-3 98-86-2 118-91-2
17849-38-6
下游产品  9
111861-47-3 141996-40-9 28989-25-5 23773-23-1
3533-10-6 3513-09-5 3513-08-4 347890-46-4
40915-55-7

海关

海关编码	2926909090
中文概述	2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%