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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。

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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)

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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。

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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...

更多文献

二氯乙酸

二氯乙酸用途

二氯乙酸名称

二氯乙酸物理化学性质

二氯乙酸MSDS

详细MSDS(安全技术说明书)

二氯乙酸毒性和生态

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

二氯乙酸安全信息

二氯乙酸合成路线

详细合成路线

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

二氯乙酸海关

二氯乙酸文献

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