2818-88-4

• 常用中文名：2-甲基-硒氮茚
• 常用英文名：2-Methylbenzoselenazole
• CAS号：2818-88-4
• 分子式：C₈H₇NSe
• 分子量：196.10800
• 发布时间：2018-06-15 12:37:55
• 更新时间：2024-01-06 15:51:31

名称

• 中文名: 2-甲基-硒氮茚
• 英文名: 2-methyl-1,3-benzoselenazole
• 中文别名: 2-甲基苯并硒唑
• 英文别名: EINECS 220-577-4; 2-methylbenzo-1,3-selenazole; 2-Methyl-benzoselenicazole; 2-Methylbenzoselenazol; 2-Methylbenzselenazol [Czech]; methyl-2 benzoselenazole; MFCD00005557; 2-Methylbenzselenazole; BENZOSELENAZOLE,2-METHYL; 2-Methylbenzoselenazole

物化性质

• 沸点: 140 °C51 mm Hg(lit.)
• 熔点: 28.5-30 °C(lit.)
• 分子式: C₈H₇NSe
• 分子量: 196.10800
• 闪点: >230 °F
• 精确质量: 196.97400
• PSA: 12.89000
• LogP: 1.60020
• 外观性状: 黄色固体
• 蒸汽压: 0.0901mmHg at 25°C
• 折射率: n20/D 1.652(lit.)
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性:

  避免与不相容材料接触，与强氧化剂反应。

• 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:1

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积12.9

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:126

  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

• 更多:

  1. 性状：黄色固体

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：28.5-30

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,1mmHg）：140

  7. 折射率(n20/D)：1.652

  8. 闪点（ºC）：＞110

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（mPa,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

Name: 2-Methylbenzselenazole 99% Material Safety Data Sheet Synonym: CAS: 2818-88-4 Section 1 - Chemical Product MSDS Name:2-Methylbenzselenazole 99% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2818-88-4 2-METHYLBENZSELENAZOLE 220-577-4 Hazard Symbols: T Risk Phrases: 23/25 33 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Toxic by inhalation and if swallowed. Danger of cumulative effects. Potential Health Effects Eye: Causes mild eye irritation. Skin: Causes mild skin irritation. Ingestion: Poison by ingestion. Inhalation: The toxicological properties of this substance have not been fully investigated. Toxic if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid immediately. Wash mouth out with water. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions. Section 7 - HANDLING and STORAGE Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 2818-88-4: United Kingdom, WEL - TWA: (listed as selenium compounds): 0.1 mg TWA (except hydrogen selenide, as Se) United Kingdom, WEL - STEL: (listed as selenium compounds): 0.3 m STEL (except hydrogen selenide, as Se) United States OSHA: 0.2 mg/m3 TWA (as Se) (listed under Selenium compounds). Belgium - TWA: (listed as selenium compounds): 0.2 mg/m3 VLE (as Japan: (listed as selenium compounds): 0.1 mg/m3 OEL (except SeH2 SeF6, as Se) Malaysia: (listed as selenium compounds): 0.2 mg/m3 TWA (as Se) Netherlands: (listed as selenium compounds): 0.1 mg/m3 MAC (as Se Spain: (listed as selenium compounds): 0.1 mg/m3 VLA-ED (except hydrogen selenide, as Se) Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 140 deg C @ 51.00mm Hg Freezing/Melting Point: 28.5 - 30 deg C Autoignition Temperature: Not available. Flash Point: > 110 deg C (> 230.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C8H7NSe Molecular Weight: 196.11 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, selenium/selenium oxides. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2818-88-4: DK7700000 LD50/LC50: CAS# 2818-88-4: Draize test, rabbit, eye: 500 mg/24H Mild; Draize test, rabbit, skin: 500 mg/24H Mild; Oral, rat: LD50 = 471 mg/kg. Carcinogenicity: 2-METHYLBENZSELENAZOLE - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: SELENIUM COMPOUND, N.O.S. Hazard Class: 6.1 UN Number: 3283 Packing Group: III IMO Shipping Name: SELENIUM COMPOUND, N.O.S. Hazard Class: 6.1 UN Number: 3283 Packing Group: III RID/ADR Shipping Name: SELENIUM COMPOUND, N.O.S. Hazard Class: 6.1 UN Number: 3283 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T Risk Phrases: R 23/25 Toxic by inhalation and if swallowed. R 33 Danger of cumulative effects. Safety Phrases: S 20/21 When using do not eat, drink or smoke. S 28A After contact with skin, wash immediately with plenty of water. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 2818-88-4: No information available. Canada CAS# 2818-88-4 is listed on Canada's NDSL List. CAS# 2818-88-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2818-88-4 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、皮肤/眼睛刺激性 标准的Draize试验：兔子，皮肤接触：500mg/24H；反应的严重程度：轻度。 标准的Draize试验：兔子，眼睛接触：500mg/24H；反应的严重程度：轻度。 2、急性毒性：大鼠经口LD50：471mg/kg；小鼠经静脉LD50：140mg/kg； CHEMICAL IDENTIFICATION RTECS NUMBER : DK7700000 CHEMICAL NAME : Benzoselenazole, 2-methyl- CAS REGISTRY NUMBER : 2818-88-4 BEILSTEIN REFERENCE NO. : 0112836 LAST UPDATED : 199712 DATA ITEMS CITED : 27 MOLECULAR FORMULA : C8-H7-N-Se MOLECULAR WEIGHT : 196.12 WISWESSER LINE NOTATION : T56 BN D-SE-J C1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1283,1986 TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit REFERENCE : 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1283,1986 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 471 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1283,1986 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 140 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#05958 *** REVIEWS *** ACGIH TLV-TWA 0.2 mg(Se)/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: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 0.2 mg(Se)/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: 3,224,1971 OSHA PEL (Gen Indu):8H TWA 0.2 mg(Se)/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 0.2 mg(Se)/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 0.2 mg(Se)/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 0.2 mg(Se)/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-ARAB Republic of Egypt:TWA 0.2 mg(Se)/m3 JAN 1993 OEL-AUSTRALIA:TWA 0.2 mg(Se)/m3 JAN 1993 OEL-BELGIUM:TWA 0.2 mg(Se)/m3 JAN 1993 OEL-DENMARK:TWA 0.1 mg(Se)/m3 JAN 1993 OEL-FINLAND:TWA 0.1 mg(Se)/m3;STEL 0.3 mg(Se)/m3 JAN 1993 OEL-GERMANY:TWA 0.1 mg(Se)/m3 JAN 1993 OEL-HUNGARY:STEL 0.1 mg(Se)/m3 JAN 1993 OEL-THE NETHERLANDS:TWA 0.2 mg(Se)/m3 JAN 1993 OEL-THE PHILIPPINES:TWA 0.2 mg(Se)/m3 JAN 1993 OEL-POLAND:TWA 0.1 mg(Se)/m3 JAN 1993 OEL-SWEDEN:TWA 0.1 mg(Se)/m3 JAN 1993 OEL-SWITZERLAND:TWA 0.1 mg(Se)/m3 JAN 1993 OEL-TURKEY:TWA 0.2 mg(Se)/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 0.1 mg(Se)/m3 JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV

安全

• 危害码 (欧洲): T: Toxic;N: Dangerous for the environment;
• 风险声明 (欧洲): R23/25;R33;R50/53
• 安全声明 (欧洲): S20/21-S28-S45-S60-S61-S28A
• 危险品运输编码: UN 3077 9/PG 3
• WGK德国: 3
• RTECS号: DK7700000
• 包装等级: III
• 危险类别: 6.1(b)
• 海关编码: 2927000090

合成路线

61053-50-7 ~% 2818-88-4

文献：Mbuyi, Musangu; Evers, Michel; Tihange, Guy; Luxen, Andre; Christiaens, Leon Tetrahedron Letters, 1983 , vol. 24, # 52 p. 5873 - 5876

70086-67-8 ~% 2818-88-4

文献：Mbuyi, Musangu; Evers, Michel; Tihange, Guy; Luxen, Andre; Christiaens, Leon Tetrahedron Letters, 1983 , vol. 24, # 52 p. 5873 - 5876

134174-55-3 75-36-5 ~% 2818-88-4

文献：Guglielmetti,R. et al. Bulletin de la Societe Chimique de France, 1971 , p. 556 - 559

89723-06-8 ~% 2818-88-4

文献：Mbuyi, Musangu; Evers, Michel; Tihange, Guy; Luxen, Andre; Christiaens, Leon Tetrahedron Letters, 1983 , vol. 24, # 52 p. 5873 - 5876

35350-43-7 ~% 2818-88-4

文献：Ochiai; Haginiwa Yakugaku Zasshi, 1947 , vol. 67, p. 138 Chem.Abstr., 1951 , p. 9539

108-24-7 134174-55-3 ~% 2818-88-4

文献：Develotte Annales de Chimie (Cachan, France), 1950 , vol. <2> 5, p. 215,237

1441-98-1 ~% 2818-88-4

文献：Weber,R. et al. Journal of Heterocyclic Chemistry, 1978 , vol. 15, p. 865 - 867

462-80-6 17505-12-3 ~1% 2818-88-4 75-05-8

文献：Bryce, Martin R.; Hanson, Peter; Vernon, John M. Journal of the Chemical Society, Chemical Communications, 1982 , # 5 p. 299 - 300

上下游产品

上游产品  9
61053-50-7 70086-67-8 134174-55-3 75-36-5
89723-06-8 35350-43-7 108-24-7 1441-98-1
462-80-6
下游产品  6
1982-90-7 2870-37-3 14696-40-3 42423-89-2
62693-30-5 62729-11-7

海关

海关编码	2927000090
中文概述	2927000090 其他重氮化合物、偶氮化合物等（包括氧化偶氮化合物）. 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	2927000090 other diazo-, azo- or azoxy-compounds。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%