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氰乙酸正丁酯

氰乙酸正丁酯用途

用作化工中间体

氰乙酸正丁酯名称

[ CAS 号 ]:
5459-58-5

[ 中文名 ]:
氰乙酸正丁酯

[ 英文名 ]:
N-Butyl cyanoacetate

[中文别名 ]:

[英文别名 ]:

tert-Butyl cyanoacetate
Acetic acid, 2-cyano-, butyl ester
2-Methyl-2-propanyl cyanoacetate
EINECS 226-730-1
Butyl cyanoacetate
tert-Butylcyanacetat
MFCD00001941
Acetic acid, cyano-, 1,1-dimethylethyl ester
Acetic acid, cyano-, tert-butyl ester
butyl 2-cyanoacetate

氰乙酸正丁酯物理化学性质

[ 密度 ]:
1.0±0.1 g/cm3

[ 沸点 ]:
233.7±0.0 °C at 760 mmHg

[ 熔点 ]:
-80ºC

[ 分子式 ]:
C₇H₁₁NO₂

[ 分子量 ]:
141.168

[ 闪点 ]:
87.2±0.0 °C

[ 精确质量 ]:
141.078979

[ PSA ]:
50.09000

[ LogP ]:
1.12

[ 外观性状 ]:
透明液体

[ 蒸汽压 ]:
0.1±0.4 mmHg at 25°C

[ 折射率 ]:
1.427

[ 储存条件 ]:
室温，密封

[ 水溶解性 ]:
IMMISCIBLE

氰乙酸正丁酯MSDS

氰乙酸正丁酯毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AG3692500

CHEMICAL NAME :: Acetic acid, cyano-, butyl ester

CAS REGISTRY NUMBER :: 5459-58-5

BEILSTEIN REFERENCE NO. :: 1761735

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C7-H11-N-O2

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 :: 4180 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - other changes

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 35(2),42,1991

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 6270 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - other changes

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 35(2),42,1991

氰乙酸正丁酯安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H312 + H332-H315-H319-H335

[ 警示性声明 ]:
P261-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;

[ 风险声明 (欧洲) ]:
R20/21/22;R36/37/38

[ 安全声明 (欧洲) ]:
S26-S27-S36/37/39

[ 危险品运输编码 ]:
UN 3276 6.1/PG 3

[ WGK德国 ]:
3

[ RTECS号 ]:
AG3692500

[ 包装等级 ]:
III

[ 海关编码 ]:
2926909090

氰乙酸正丁酯合成路线

氰乙酸正丁酯上下游产品

氰乙酸正丁酯上游产品

氰乙酸正丁酯下游产品

氰乙酸正丁酯制备

由氯乙酸钠经氰化、酯化而得。工艺流程：（1）氯化制取氰乙酸将氯化钠配成水溶液后加热至50-60℃，滴加氯乙酸钠溶液（氯乙酸用碳酰钠中和至于PH值7-7.6而得），维持87-90℃至放热反应结束。升温，在105-110℃搅拌10min。冷却至10℃，滴加盐酸后加热减压蒸除水分，得氰乙酸溶液。（2）酯化在前一工序所得的氰乙酸溶液中加入正丁醇，过滤后在滤液中加入浓硫酸，搅拌加热，在120-150℃回流2-5h。蒸出过量的正丁醇，冷至室温，向反应液加入30%碳酸钾溶液至PH值7-7.5，用饱和食盐水洗涤。静置分层，取酯层脱水过夜。过滤，滤液减压蒸馏，收集120-140℃（1.33KPa）馏分，得氰乙酸，收率89%。

氰乙酸正丁酯海关

[ 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%

氰乙酸正丁酯文献

Iridium catalysed alkylation of tert-butyl cyanoacetate with alcohols under solvent free conditions.

Tetrahedron 65(4) , 849-854, (2009)

更多文献