CAS 79-43-6 MFCD00004223-Dichloroacetic acid 二氯乙酸 TAO{mole}

Dichloroacetic acid 二氯乙酸

CAS 79-43-6 MFCD00004223

化学结构图

SMILES: O=C(O)C(Cl)Cl

化学属性

Mol. Formula	C2H2Cl2O2
Mol. Weight	129
Density	1.563
Refractive index	1.4630 to 1.4680
Flash Point	170°C(lit.)
TSCA	Yes
Boiling Point	193°C(lit.)
Melting Point	9-11
Vapor Density	4.5 (vs air)
Vapor Pressure	0.19 mmHg ( 20 °C)
Solubility	可溶
pH	:A

别名和识别编码

Chemical Name	Dichloroacetic acid
CAS Number	79-43-6
PubChem Substance ID	87567003
Beilstein Registry Number	2,202
MDL Number	MFCD00004223
Synonym	2,2-Dichloroacetic acid 2,2,-dichloroethanoicacid 二氯乙酸溶液 dichlorethanoicacid 二氯乙酸去保护溶液（0.36M 二氯乙酸的甲苯溶液） dca(acid) Dichloressigsäure Urner's liquid dichloroacetic 二氯乙酸标准溶液 DICHLOROACETIC ACID acidedichloracetique BICHLOROACETIC ACID dichloro-acetic acid DKhUK 二氯乙酸; 二氯醋酸二氯乙酸, 99% dichloroethanoic acid dichloraceticacid DCA (acid) 二氯乙酸 Dichlorethanoic acid DCAA DICHLOROETHANOIC ACID DCA Dichloracetic acid 去保护溶液（0.36M 二氯乙酸的甲苯溶液） Dichloroethanoic acid acetic acid, dichloro-
EC Number	201-207-0
Reaxys-RN	1098596
Merck Number	3050
Chemical Name Translation	二氯乙酸
Wiswesser Line Notation	QVYGG
LabNetwork Molecule ID	LN00197210
InChI	InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)

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产品应用

用于有机合成和药物制造。

安全信息

GHS Symbol

WGK Germany2

Hazard Codes C,N

Hazard statements

H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
H290 May be corrosive to metals 可能腐蚀金属。
H304 May be fatal if swallowed and enters airways 吞食和进入呼吸道可能致命
H311 Toxic in contact with skin 皮肤接触中毒
H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
H315 Causes skin irritation 会刺激皮肤
H318 Causes serious eye damage 严重伤害眼睛
H336 May cause drowsiness or dizziness 肯能导致嗜睡或头晕
H351 Suspected of causing cancer 怀疑致癌
H361d Suspected of damaging the unborn child 怀疑对未出生婴儿造成伤害
H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
H400 Verytoxictoaquaticlife 对水生生物毒性非常大。

Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Signal word

Safety Statements

S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
S62 If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label where possible 吞食后不要催吐：立即求医并出示该容器或标签；
S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；

Risk Statements

R35 Causes severe burns 会导致严重灼伤
R50 Very toxic to aquatic organisms 对水生生物极毒
R11 Highly flammable 非常易燃
R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
R48/20
R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
R65 Harmful: may cause lung damage if swallowed 若吞咽可能伤害肺部器官
R67 Vapours may cause drowsiness and dizziness 蒸汽可能导致嗜睡和昏厥
R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Precautionary statements

P201 Obtain special instructions before use. 使用前获取专门指示。
P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
P234 Keep only in original container. 只保留在原来的容器中。
P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P273 Avoid release to the environment. 避免释放到环境中。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P301+P310
P301+P330+P331+P310
P303+P361+P353
P303+P361+P353+P310+P363
P304+P340
P304+P340+P310
P305+P351+P338
P305+P351+P338+P310
P308+P311
P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。
P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
P405 Store locked up. 上锁保管。
P406 Store in corrosive resistant/… container with a resistant inner liner. 存放在耐腐蚀/具有耐性的内衬容器。
P501 Dispose of contents/container to..… 处理内容物/容器.....

RTECSAG6125000

UN Number 1764

Storage condition 0-6°C Hygroscopic 本系列有机溶液标准物质需在低温（<10℃）及避光条件下存放，其中二氯乙酸/甲叔丁醚，三氯乙酸/甲叔丁醚有机溶液标准物质需在-10℃下避光条件下存放密封干燥保存。

Packing GroupII

Hazard Class8

Warnings 危化品目录(2015)

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
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   90,183,1987

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
REFERENCE :
   TXCYAC Toxicology.  (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
   Limerick, Ireland) V.1-    1973-  Volume(issue)/page/year: 114,207,1996

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
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

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
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 1800 mg/kg/9D (Continuous)
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:
   27,1,1996

TYPE OF TEST            : DNA damage
ROUTE OF EXPOSURE       : Oral
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

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 14 gm/kg
SEX/DURATION            : female 6-15 da

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
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)
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 46,217,1992

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 4 gm/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - cardiovascular
   (circulatory) system
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 46,217,1992

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 24 gm/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - sex ratio
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 46,217,1992

Restrict 危险品

其他信息

Alfa Aesar:二氯乙酸,99+% Dichloroacetic acid, 99+%(79-43-6)
图谱信息:二氯乙酸(79-43-6)质谱(MS) 二氯乙酸(79-43-6)红外图谱(IR1) 二氯乙酸(79-43-6)核磁图( 1 HNMR) 二氯乙酸(79-43-6)红外图谱(IR2)
下游产品:氯乙酸 --> 乙醛酸 --> 碱性黄24 --> 二氯乙酰氯 --> 庚烯磷 --> 二氯乙酸甲酯 --> 尿囊素 --> 血晶素 --> 2-(二氯甲基)苯并咪唑
毒性分级:中毒
理化性质:二氯乙酸又名二氯醋酸，无色液体，有刺激性气味。相对分子质量128.94。相对密度1.5634。二氯乙酸有两种晶型，熔点分别为9.7℃及-4℃。沸点194℃、102℃(2.666×103Pa)、91～92℃(1.600×103Pa)。折射率1.4659。溶于水(20℃时8.63)、乙醇、甲醇、乙醚、丙酮、氯仿和苯。二氯乙酸的酸性较氯乙酸强，离解常数K=5×10-2，化学性与氯乙酸相近，二氯乙酸分子结构中的两个氯原子可被取代，与苯酚反应，生成二苯氧基乙酸；与羟胺反应，生成异亚硝基乙酸等；本品也可进行酯化反应，同乙醇反应得二氯乙酸乙酯。。二氯乙酸有可燃性及腐蚀性，其蒸气对皮肤和眼睛有强烈刺激性。大鼠经口LD502820mg/kg。以三氯乙醛水合物为原料，在碳酸钙及酸催化剂存在下，在75～95℃下与氰化钠反应，生成1，1，1-三氯-2-羟基丙腈，脱氯化氢，生成1，1-二氯乙酰氰化物，加热水解可制得二氯乙酸。以上信息由Chemicalbook的彤彤编辑整理。
TCI Shanghai:二氯乙酸 Dichloroacetic Acid,>;98.0%(GC)(79-43-6)
急性毒性:口服- 大鼠 LD50: 2820 毫克/ 公斤
用途一:用作农药及医药中间体
外观性质:无色液体，有刺鼻气味。
职业标准:ST
二氯乙酸价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 80044916 二氯乙酸;二氯醋酸 100ml 24.8元 2011/04/16 D0308 二氯乙酸 Dichloroacetic Acid 25G 117元 2011/04/16 D0308 二氯乙酸 Dichloroacetic Acid 500G 466元
上游原料:三氯乙醛 --> 氯乙酸母液
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。
类别:腐蚀物品
敏感性:Hygroscopic
可燃性危险特性:遇热分解有毒氯化物气体; 遇水放出有毒氯化物气体；受热产生有毒氯化物烟雾
刺激数据:皮肤- 兔子 10 毫克/ 24小时中度; 眼- 兔子 0.05 毫克重度
有刺激性气味。低温时为结晶，有两种结晶形态。熔点分别为9.7℃和-4℃。能与水、乙醇、乙醚混溶。低毒，半数致死量(大鼠，经口)2820mg/kg。有腐蚀性
Acros Organics:二氯乙酸 Dichloroaceticacid,99+%(79-43-6)
蒸气密度:4.5 (vs air)
F:3-10
储运特性:库房通风低温干燥;与氧化剂、碱类分开存放。
方法一:1.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。
MOL 文件:79-43-6.mol
Sigma Aldrich:79-43-6
用途二:用于有机合成及制药工业等
灭火剂:砂土、泡沫、雾状水、二氧化碳
蒸气压:0.19 mm Hg ( 20 °C)