2-溴-2-氰基乙酸乙酯
- 中文名称：
- 2-溴-2-氰基乙酸乙酯
- 中文别名：
- alpha-溴-alpha-氰基乙酸乙酯
- 英文名称：
- Acetic acid,2-bromo-2-cyano-, ethyl ester
- 英文别名：
- Ethyl 2-bromo-2-cyanoacetate;
ethyl 2-bromo-2-cyanoacetate
- CAS No.：
- 1187-46-8
- 分 子 式：
-
C5H6BrNO2
- 分 子 量：
- 192.03
- 精确分子量：
- 190.95800
- PSA：
- 50.09000
- InChI：
- The Key: QFGBTDLJOFKSQL-UHFFFAOYSA-N3
- 安全术语：
- A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx and Br−.
- 分子结构式：
-
- SDS：
- 查看
2-溴-2-氰基乙酸乙酯 物化性质
- 密度：
- 1.58g/cm3
- 沸点：
- 208.6ºC at 760 mmHg
- 闪点：
- 79.9ºC
- 折射率：
- 1.481
- 蒸汽压：
- 0.212mmHg at 25°C
2-溴-2-氰基乙酸乙酯 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AF5958000
- CHEMICAL NAME :
- Acetic acid, 2-bromo-2-cyano-, ethyl ester
- CAS REGISTRY NUMBER :
- 1187-46-8
- BEILSTEIN REFERENCE NO. :
- 1761604
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C5-H6-Br-N-O2
- MOLECULAR WEIGHT :
- 192.03
- WISWESSER LINE NOTATION :
- NCYEVO2
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 :
- 420 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - food intake (animal)
Gastrointestinal - other changes
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161)
Formerly U.S. Clearinghouse for Scientific & Technical Information.
Volume(issue)/page/year: OTS0570610
- 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
- 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#00605
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 316 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - food intake (animal)
Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161)
Formerly U.S. Clearinghouse for Scientific & Technical Information.
Volume(issue)/page/year: OTS0570610
2-溴-2-氰基乙酸乙酯 海关数据
中国海关编码：2926909090
- 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
- 摘要/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%
2-溴-2-氰基乙酸乙酯 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：34.59
2、 摩尔体积（cm3/mol）：121.4
3、 等张比容（90.2K）：313.6
4、 表面张力（dyne/cm）：44.4
5、 极化率（10-24cm3）：13.71
