3252-43-5

• 常用中文名：二溴乙腈
• 常用英文名：dibromoacetonitrile
• CAS号：3252-43-5
• 分子式：C₂HBr₂N
• 分子量：198.84400
• 相关类别： 化学试剂 有机试剂 氰化物/腈
• 发布时间：2018-06-26 21:33:05
• 更新时间：2024-01-03 16:20:59
• 下载msds

名称

• 中文名: 二溴乙腈
• 英文名: 2,2-dibromoacetonitrile
• 英文别名: EINECS 221-843-2; 2,2-dibromoethanenitrile; Dibrom-acetonitril; dibromoacetonitrile; Acetonitrile,dibromo; MFCD00001856

物化性质

• 密度: 2.29
• 沸点: 67-69 °C (24 mmHg)
• 分子式: C₂HBr₂N
• 分子量: 198.84400
• 闪点: 37°C
• 精确质量: 196.84800
• PSA: 23.79000
• LogP: 1.62588
• 折射率: 1.538-1.543
• 储存条件:

  20℃ ，避光，通风干燥处

• 稳定性:

  常温常压下稳定，密度2.296 g/mL,25/4℃

• 分子结构:

  分子性质数据：

  1、 摩尔折射率：26.65

  2、 摩尔体积（cm³/mol）：81.6

  3、 等张比容（90.2K）：221.6

  4、 表面张力（dyne/cm）：54.2

  5、 极化率（10^-24cm³）：10.56

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.7

  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23.8

  7.重原子数量:5

  8.表面电荷:0

  9.复杂度:59.3

  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：不确定

  2. 密度d（g/mL,25/4℃）：2.296

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点mp（ºC）：不确定

  5. 沸点（ºC,常压）：不确定

  6. 沸点bp（ºC,24mm）：67-69

  7. 折射率：1.5405

  8. 闪点fp（ºC）：56

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

MSDS

Name: Dibromoacetonitrile 99% Material Safety Data Sheet Synonym: CAS: 3252-43-5 Section 1 - Chemical Product MSDS Name:Dibromoacetonitrile 99% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 3252-43-5 Dibromoacetonitrile 99 221-843-2 Hazard Symbols: T Risk Phrases: 23/24 33 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Toxic by inhalation and in contact with skin. Danger of cummulative effects. Potential Health Effects The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation. Section 4 - FIRST AID MEASURES Eyes: Not available. Skin: Not available. Ingestion: Not available. Inhalation: Not available. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: Not available. Extinguishing Media: Not available. Autoignition Temperature: Not available. Flash Point: Not available. NFPA Rating: Not published. Explosion Limits, Lower: Not available. Upper: Not available. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Not available. Section 7 - HANDLING and STORAGE Handling: Not available. Storage: Not available. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Personal Protective Equipment Eyes: Not available. Skin: Not available. Clothing: Not available. Respirators: Not available. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Not available. Appearance: clear colorless to yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Vapor Density: Not available. Evaporation Rate: Not available. Viscosity: Not available. Boiling Point: 67.0 - 69.0 deg C @ 24.00mm Hg Freezing/Melting Point: 0 deg C Decomposition Temperature: Not available. Solubility: Not available. Specific Gravity/Density: 2.2960g/cm3 Molecular Formula: C2HBr2N Molecular Weight: 198.84 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Not available. Hazardous Polymerization: Not available. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 3252-43-5: AL8450000 LD50/LC50: CAS# 3252-43-5: Oral, mouse: LD50 = 289 mg/kg; Oral, rat: LD50 = 245 mg/kg. Carcinogenicity: Dibromoacetonitrile - IARC: Group 3 carcinogen See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION For further information, contact Fisher Scientific. Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION CDG/CPL IMO Shipping Name: CYANIDE SOLUTION, N.O.S. Hazard Class: 6.1 UN Number: 1935 Packing Group: I IATA Shipping Name: CYANIDE SOLUTION, N.O.S. Hazard Class: 6.1 UN Number: 1935 Packing Group: I RID/ADR Shipping Name: CYANIDE SOLUTION, N.O.S. Dangerous Goods Code: 6.1(41A) UN Number: 1935 Canadian TDG No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T Risk Phrases: R 23/24 Toxic by inhalation and in contact with skin. R 33 Danger of cummulative effects. Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 3252-43-5: Canada CAS# 3252-43-5 is listed on Canada's DSL/NDSL List. WHMIS: Not available. CAS# 3252-43-5 is not listed on Canada's Ingredient Disclosure List. Exposure Limits US FEDERAL TSCA CAS# 3252-43-5 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、 急性毒性：大鼠口经LD50： 245mg/kg，行为-嗜睡（普通抑郁活动）行为-昏迷肺部，胸部或呼吸-呼吸抑制；小鼠口经LD50： 289 mg/kg，行为-嗜睡（普通抑郁活动）行为-昏迷肺部，胸部或呼吸-呼吸抑制；大鼠静脉LD50： 56mg/kg，毒性作用的细节没有报告以外的其他致死剂量值。 2、 多剂量毒性 大鼠试验：口服，TDLo -最低毒性剂量，630 mg/kg/14D-I，肝-肝脏重量的变化在肾，输尿管，膀胱-，膀胱重量变化的营养和总代谢-体重减轻或减少体重增加 大鼠试验：口服，TDLo -最低毒性剂量，4050 mg/kg/90D-I，肾，输尿管，膀胱-改变在膀胱重量血-血清成分的变化（如茶多酚，胆红素，胆固醇）营养和总代谢-体重减轻或减少体重增加减少体重增加 3、 致肿瘤数据 小鼠试验：2400 mg/kg/2W-I，皮肤接触，瘤-致癌的RTECS标准皮肤和附件-肿瘤 4、 生殖毒性 大鼠试验： 750mg/ kgSEX /时间： 7月21日一天女性后受孕，生殖-新生儿的影响-增长的统计数据（例如％ ，减少体重增加） 生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境 CHEMICAL IDENTIFICATION RTECS NUMBER : AL8450000 CHEMICAL NAME : Acetonitrile, dibromo- CAS REGISTRY NUMBER : 3252-43-5 BEILSTEIN REFERENCE NO. : 1739037 LAST UPDATED : 199712 DATA ITEMS CITED : 19 MOLECULAR FORMULA : C2-H-Br2-N MOLECULAR WEIGHT : 198.86 WISWESSER LINE NOTATION : NCYEE HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 245 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - coma Lungs, Thorax, or Respiration - respiratory depression TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 289 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - coma Lungs, Thorax, or Respiration - respiratory depression TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 56 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 630 mg/kg/14D-I TOXIC EFFECTS : Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Nutritional and Gross Metabolic - weight loss or decreased weight gain TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 4050 mg/kg/90D-I TOXIC EFFECTS : Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Nutritional and Gross Metabolic - weight loss or decreased weight gain TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2400 mg/kg/2W-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 750 mg/kg SEX/DURATION : female 7-21 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) TYPE OF TEST : Micronucleus test TYPE OF TEST : Unscheduled DNA synthesis MUTATION DATA TYPE OF TEST : Sister chromatid exchange TEST SYSTEM : Rodent - hamster Ovary DOSE/DURATION : 170 nmol/L REFERENCE : FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 5,1065,1985 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 52,269,1991 IARC Cancer Review:Human No Available Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 52,269,1991 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 52,269,1991

安全

• 符号: GHS06, GHS08, GHS09
• 信号词: Danger
• 危害声明: H301-H319-H351-H410
• 警示性声明: Missing Phrase - N15.00950417-P280-P305 + P351 + P338
• 个人防护装备: Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xn: Harmful;T: Toxic;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S36/37-S26
• 危险品运输编码: 3275
• RTECS号: AL8450000
• 包装等级: III
• 危险类别: 3
• 海关编码: 2926909090

制备

1.制法：

于2L的烧杯中加入氰基乙酸(2)63.8g（0.75mol），加入650mL水，搅拌溶解。冷却，搅拌下以较快的速度加入N-溴代丁二酰亚胺(NBS)276g（1.5mol），约6min加完，注意不要使生成的二氧化碳将反应液溢出。加完后冰浴中冷却2h，抽滤析出的琥珀酰亚胺结晶，用二氯甲烷浸洗5～6次，每次50mL。分出水层中的二溴乙腈粗品，水层再用上述洗涤琥珀酰亚胺的二氯甲烷提取2次，与粗品合并，依次用5%的氢氧化钠、水洗涤、无水硫酸钠干燥。回收二氯甲烷后，减压蒸馏，收集70～72℃/2.7kPa的馏分，得化合物(1)112～119g,收率75%～87%。

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%