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二氯乙酸

二氯乙酸用途

【用途一】
用作农药及医药中间体
【用途二】
用于有机合成及制药工业等
【用途三】
用作有机合成中间体，用于制二氯乙酸甲酯（氯霉素中间体）和医药尿囊素及阳离子染料等。
【用途四】
用于有机合成和药物制造。

二氯乙酸名称

[ CAS 号 ]:
79-43-6

[ 中文名 ]:
二氯乙酸

[ 英文名 ]:
Dichloroacetic acid

[中文别名 ]:

二氯醋酸

[英文别名 ]:

Dichloroacetic acid
dichloroacetic
dichloraceticacid
dca(acid)
dichloro
DKhUK
Urner's liquid
dichloro-acetic acid
EINECS 201-207-0
Dichloressigsure

二氯乙酸物理化学性质

[ 密度 ]:
1.563 g/mL at 25 °C(lit.)

[ 沸点 ]:
194 °C(lit.)

[ 熔点 ]:
9-11 °C(lit.)

[ 分子式 ]:
C₂H₂Cl₂O₂

[ 分子量 ]:
128.94200

[ 闪点 ]:
>230 °F

[ 精确质量 ]:
127.94300

[ PSA ]:
37.30000

[ LogP ]:
0.87470

[ 外观性状 ]:
透明无色至淡黄色液体

[ 蒸汽密度 ]:
4.5 (vs air)

[ 蒸汽压 ]:
0.19 mm Hg ( 20 °C)

[ 折射率 ]:
n20/D 1.466(lit.)

[ 储存条件 ]:
库房通风低温干燥,与氧化剂、碱类分开存放

[ 稳定性 ]:
Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Reacts with water. Protect from moisture. Hygroscopic.

[ 水溶解性 ]:
soluble

二氯乙酸MSDS

二氯乙酸毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AG6125000

CHEMICAL NAME :: Acetic acid, dichloro-

CAS REGISTRY NUMBER :: 79-43-6

BEILSTEIN REFERENCE NO. :: 1098596

LAST UPDATED :: 199806

DATA ITEMS CITED :: 24

MOLECULAR FORMULA :: C2-H2-Cl2-O2

MOLECULAR WEIGHT :: 128.94

WISWESSER LINE NOTATION :: QVYGG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2820 mg/kg

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

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 510 uL/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 :: 3195 mg/kg/90D-C

TOXIC EFFECTS :: Kidney, Ureter, Bladder - changes in bladder weight Nutritional and Gross Metabolic - weight loss or decreased weight gain Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 7100 mg/kg/10W-C

TOXIC EFFECTS :: Liver - other changes Liver - changes in liver weight Biochemical - Effect on specific coenzyme - CoA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 100 gm/kg/2Y-C

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 427 gm/kg/61W-C

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 9 gm/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 24 gm/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - sex ratio

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 4 gm/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 14 gm/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - urogenital system

TYPE OF TEST :: Micronucleus test

MUTATION DATA

TEST SYSTEM :: Rodent - mouse

DOSE/DURATION :: 645 mg/kg

REFERENCE :: EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 20,277,1992 *** REVIEWS *** IARC Cancer Review:Animal Limited 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: 63,271,1995 IARC Cancer Review:Human 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: 63,271,1995 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: 63,271,1995 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 4 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84531 No. of Facilities: 44 (estimated) No. of Industries: 3 No. of Occupations: 5 No. of Employees: 164 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84531 No. of Facilities: 39 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 1592 (estimated) No. of Female Employees: 579 (estimated)

二氯乙酸安全信息

[ 符号 ]:

GHS05, GHS06, GHS08, GHS09

[ 信号词 ]:
Danger

[ 危害声明 ]:
H311-H314-H351-H400

[ 警示性声明 ]:
P273-P280-P305 + P351 + P338-P310

[ 个人防护装备 ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ 危害码 (欧洲) ]:
C:Corrosive

[ 风险声明 (欧洲) ]:
R35;R50

[ 安全声明 (欧洲) ]:
S26-S45-S61-S36/37-S36-S16

[ 危险品运输编码 ]:
UN 1764 8/PG 2

[ WGK德国 ]:
2

[ RTECS号 ]:
AG6125000

[ 包装等级 ]:
II

[ 危险类别 ]:
8

[ 海关编码 ]:
2915400090

二氯乙酸合成路线

二氯乙酸上下游产品

二氯乙酸上游产品

二氯乙酸下游产品

二氯乙酸制备

1.醋酸氯化母液回收法由醋酸氯化得氯乙酸母液，氯乙酸母液在硫磺催化下，进行氯化反应，经蒸馏而得。

2.三氯乙醛法三氯乙醛经氰化、脱氯化氢和水解而得。

3.乙酸法由乙酸在碘催化下经氯化而得。

精制方法：将由乙酸氯化得到的粗制品用低级醇进行酯化，分馏后将酯皂化可得纯品。若需分离二氯乙酸和三氯乙酸的混合物，可用水解的方法。三氯乙酸水解后生成氯仿和二氧化碳，再用不溶于水的溶剂如乙醚萃取二氯乙酸。此外，也可用苯重结晶的方法精制。

二氯乙酸海关

[ 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

二氯乙酸文献

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...

Adsorption equilibrium, kinetics and thermodynamics of dichloroacetic acid from aqueous solution using mesoporous carbon.

Environ. Technol. 35(13-16) , 1962-70, (2014)

The presence of disinfection by-products, such as trihalomethanes and haloacetic acids in water, is believed to be harmful to human health. In this work, mesoporous carbon was synthesized with the eva...

Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).

J. Med. Chem. 48 , 3269-79, (2005)

Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm...

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