氯乙酸甲酯

氯乙酸甲酯用途

【用途一】
用作医药的中间体，也是农药乐果的原料
【用途二】
用作溶剂，也用于有机合成
【用途三】
氯乙酸甲酯在农药上主要用于合成杀虫剂乐果、氧乐果的中间体硫磷酯、氧硫磷酯及氯乙酰甲胺，此外，作为一种有机合成原料，也用于医药、粘接剂、表面活性剂的制备，还可用作溶剂。
【用途四】
氯乙酸甲酯用于生产有机磷杀虫剂乐果、化学合成法鱼肝油（维生素甲丁）、维生素B6、磺胺类药物磺胺邻二甲氧嘧啶。也可用作溶剂、粘合剂和表面活性剂类产品的原料。氯乙酸与乙醇、丁醇用相仿的工艺过程酯化，可获得相应的氯乙酸酯。该工艺可安排在连续化装置中进行，在100-190℃条件下，将氯乙酸和醇连续加入反应器，生成的氯乙酸酯和水连续从反应系统中移出，不需采用催化剂和共沸溶剂，可获得较高收率。氯乙酸乙酯主要用作溶剂，也是药物5-氟脲嘧啶等有机合成用的中间体；氯乙酸丁酯用于生产增塑剂丁基酞酰甘醇酸丁酯等。

氯乙酸甲酯名称

[ CAS 号 ]:
96-34-4

[ 中文名 ]:
氯乙酸甲酯

[ 英文名 ]:
methyl chloroacetate

[中文别名 ]:

[英文别名 ]:

MFCD00000931
EINECS 202-501-1
methyl 2-chloroacetate

氯乙酸甲酯物理化学性质

[ 密度 ]:
1.2±0.1 g/cm3

[ 沸点 ]:
132.2±8.0 °C at 760 mmHg

[ 熔点 ]:
-33 °C

[ 分子式 ]:
C₃H₅ClO₂

[ 分子量 ]:
108.524

[ 闪点 ]:
51.7±0.0 °C

[ 精确质量 ]:
107.997810

[ PSA ]:
26.30000

[ LogP ]:
0.41

[ 外观性状 ]:
透明液体

[ 蒸汽密度 ]:
3.8 (vs air)

[ 蒸汽压 ]:
9.0±0.2 mmHg at 25°C

[ 折射率 ]:
1.401

[ 储存条件 ]:
库房通风低温干燥,与氧化剂、食品添加剂分开存放

[ 水溶解性 ]:
28 g/L (20 ºC)

氯乙酸甲酯MSDS

详细MSDS(安全技术说明书)

氯乙酸甲酯毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AF9500000

CHEMICAL NAME :: Acetic acid, chloro-, methyl ester

CAS REGISTRY NUMBER :: 96-34-4

LAST UPDATED :: 199710

DATA ITEMS CITED :: 9

MOLECULAR FORMULA :: C3-H5-Cl-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 250 ppm/7H

TOXIC EFFECTS :: Kidney, Ureter, Bladder - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 19,1,1971

TYPE OF TEST :: LD16 - Lethal Dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 560 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,82,1982

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 240 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,82,1982

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1 gm/m3/2H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,82,1982

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 240 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 39(4),86,1974 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 5 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4940 No. of Facilities: 22 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 1666 (estimated) No. of Female Employees: 272 (estimated)

氯乙酸甲酯安全信息

[ 符号 ]:

GHS02, GHS05, GHS06

[ 信号词 ]:
Danger

[ 危害声明 ]:
H226-H301 + H331-H315-H318-H335

[ 警示性声明 ]:
P261-P280-P301 + P310-P305 + P351 + P338-P311

[ 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) ]:
T:Toxic;

[ 风险声明 (欧洲) ]:
R10;R23/25;R37/38;R41

[ 安全声明 (欧洲) ]:
S26-S37/39-S45-S36-S16

[ 危险品运输编码 ]:
UN 2295 6.1/PG 1

[ WGK德国 ]:
2

[ RTECS号 ]:
AF9500000

[ 包装等级 ]:
I

[ 危险类别 ]:
6.1

[ 海关编码 ]:
2915400090

氯乙酸甲酯合成路线

详细合成路线

氯乙酸甲酯上下游产品

氯乙酸甲酯上游产品

氯乙酸甲酯下游产品

氯乙酸甲酯制备

1.由氯乙酸与甲醇经酯化反应制得。将甲醇与氯乙酸按重量比0.366:1混合均匀，搅拌加热，于105-110℃下进行酯化反应。反应过程中不断蒸出氯乙酸甲酯、水和甲醇的三元共沸物，经酯分离器分层，将分出的甲醇和水重新回流入反应锅内，分出的粗酯用碳酸钠中和。经中和的粗酯先用常压蒸馏切取130℃馏分，再进行减压蒸馏，收集65℃（8kPa）馏分，即为氯乙酸甲酯成品。收率约96%。用于农药中间体时，所得粗酯经水洗、中和即可获得含量95%以上的产品，可直接使用。生产1t这种规格的氯乙酸甲酯，约消耗氯乙酸800kg，甲醇330kg。在室验室制备时常在氯乙酸和甲醇混合液中滴加浓硫酸，加热回流5h，再经中和、水洗、干燥、减压蒸馏而得成品。

2.其制备方法是由氯乙酸与甲醇经酯化反应而制得。

将甲醇与氯乙酸按质量比0.336∶1混合均匀，搅拌加热，于105～110℃下进行酯化反应。反应过程中不断蒸出氯乙酸甲酯、水和甲醇的三元共沸物，经酯分离器分层，将分出的甲醇和水重新回流到反应锅内，分出的粗酯用碳酸钠中和。经中和的粗酯先用常压蒸馏切取130℃馏分，再进行减压蒸馏，收集65℃/79.98kPa馏分，即得到氯乙酸甲酯成品，收率约96%。

3.在搪瓷罐中加入氯乙酸和甲醇，加热溶解后，冷却，滴加浓硫酸，加热回流5h，冷却后，依次用水洗涤二次，用5%碳酸钠洗涤二次，再用水洗至ph＝7，分去水层用无水氯化镁干燥，滤去干燥剂，减压蒸馏即为成品。

氯乙酸甲酯海关

[ 海关编码 ]: 2915400090

[ 中文概述 ]:
2915400090 其他一氯代乙酸的盐和酯（包括二氯代乙酸或三氯代乙酸的盐和酯）. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:5.5% 普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途

[ Summary ]:
2915400090 mono-, di- or trichloroacetic acids, their salts and esters

氯乙酸甲酯文献

Stable chlorine isotope analysis of chlorinated acetic acids using gas chromatography/quadrupole mass spectrometry.

Rapid Commun. Mass Spectrom. 29 , 2341-8, (2015)

The environmental occurrence of chlorinated acetic acids (CAAs) has been extensively studied, but the sources and transport are still not yet fully understood. A promising approach for source apportio...

Stopped-Flow Enantioselective HPLC-CD Analysis and TD-DFT Stereochemical Characterization of Methyl Trans-3-(3,4-Dimethoxyphenyl)Glycidate.

Chirality 27 , 914-8, (2015)

Caffeic acid-derived polyethers are a class of natural products isolated from the root extracts of comfrey and bugloss, which are endowed with intriguing pharmacological properties as anticancer agent...

Methyl chloroacetate as an extraction solvent for coupling liquid-liquid semimicroextraction with micellar electrokinetic chromatography through on-capillary decomposition for the separation of neutral compounds with concentration enhancement.

J. Chromatogr. A. 1147(1) , 105-10, (2007)

This paper reports the use of methyl chloroacetate (MCA) as an extraction solvent for coupling liquid-liquid semimicroextraction (LLsME) with micellar electrokinetic chromatography (MEKC) through on-c...

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