CAS 107-94-8 MFCD00002764-3-Chloropropionic Acid 3-氯丙酸 TAO{mole}

3-Chloropropionic Acid 3-氯丙酸

CAS 107-94-8 MFCD00002764

化学结构图

SMILES: O=C(O)CCCl

化学属性

Mol. Formula	C3H5ClO2
Mol. Weight	109
Density	1.270
Boiling Point
Melting Point	39-41°C
Flash Point	-
TSCA	Yes
Solubility	溶于水，溶于乙醇、乙醚、氯仿。
Stability	对热敏感

别名和识别编码

Chemical Name	3-Chloropropionic Acid
CAS Number	107-94-8
EC Number	203-534-4
Beilstein Registry Number	1098495
MDL Number	-
Synonym	3-Chloropropionic Acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Merck Number	2159
PubChem Substance ID	7899
Chemical Name Translation	3-氯丙酸
Reaxys-RN	1098495
Wiswesser Line Notation	QV2G
LabNetwork Molecule ID	LN00202214
InChI	InChI=1S/C3H5ClO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
Canonical SMILES	O=C(O)CCCl

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产品应用

3-Chloropropionic acid was used to study the degradation of 3-chloropropionic acid by Pseudomonas sp. strain isolated from rice paddy fields. It was also used in determination of 3-bromopropionic acid, biomarker for the exposure to 1-bromopropane in human urine by gas chromatography

安全信息

Signal word Danger

GHS Symbol

WGK Germany1

Safety Statements

S20 When using do not eat or drink 使用时，不得进食，饮水；
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；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；

Risk Statements

R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
R34 Causes burns 会导致灼伤
R35 Causes severe burns 会导致严重灼伤
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。
P203
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。
P264+P265
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。
P281 Use personal protective equipment as required. 使用所需的个人防护装备。
P301+P312
P301+P317
P301+P330+P331
P301+P330+P331+P310
P302+P361+P354
P303+P361+P353
P303+P361+P353+P310+P363
P304+
P304+P340
P304+P340+P310
P305+P351+P338
P305+P351+P338+P310
P305+P354+P338
P307+P311
P308+P313
P308+P316
P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
P316
P317
P318
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P330 Rinse mouth. 漱口
P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。
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.....

Hazard statements

H290 May be corrosive to metals 可能腐蚀金属。
H302 Harmful if swallowed 吞食有害
H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤

Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

RTECSUE8750000

Packing GroupIII

UN Number 3261 UN 3261 8/PG 2

Hazard Codes 8

Hazard Class8

Storage condition +4°C 2-8°C 4 4°C 4℃ {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {}

Warnings 危化品目录(2015) 危险化学品

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 730 mg/kg/4W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   39,391,1979

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1040 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   28,653,1968

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   DHEFDK HEW Publication (FDA. United States).  (Washington, DC)  ?-1979(?).
   For publisher information, see HPFSDS.  Volume(issue)/page/year:
   FDA-78-1046,1978

Restrict 危险化学品

其他信息

下游产品:(1R,2R)-N-BOC-1-氨基-2-苯基环丙羧酸 --> 3-氯丙酰氯 --> 3-苯氧基丙酸
图谱信息:3-氯丙酸(107-94-8)红外图谱(IR3) 3-氯丙酸(107-94-8)Raman光谱 3-氯丙酸(107-94-8)红外图谱(IR1) 3-氯丙酸(107-94-8)核磁图( 1 HNMR) 3-氯丙酸(107-94-8)质谱(MS) 3-氯丙酸(107-94-8)核磁图( 13 CNMR) 3-氯丙酸(107-94-8)红外图谱(IR2)
用途一:用作农药及医药中间体
上游原料:丙烯腈 --> 丙酸 --> 丙烯醛 --> 对苯 --> 3-氯-1-丙醇
MSDS 信息:3-氯丙酸(107-94-8).msds
用途二:有机合成中间体，用于抗癫痛药的生产。
储运特性:库房通风低温干燥; 与氧化剂、碱类分开存放。
可燃性危险特性:可燃；加热产生有毒氯化物烟雾
职业标准:STEL 5 毫克/ 立方米
海关编码:29159080
F:3-10
MOL 文件:107-94-8.mol
急性毒性:皮下- 小鼠 LDL0: 1040 毫克/ 公斤
3-氯丙酸价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 80035426 3-氯丙酸;β-氯丙酸; β-氯代初油酸 100g 75.8元 2011/04/16 C0276 3-氯丙酸 3-Chloropropionic Acid 500G 676元 2011/04/16 C0276 3-氯丙酸 3-Chloropropionic Acid 25G 131元
TCI Shanghai:3-氯丙酸 3-Chloropropionic Acid,>;98.0%(GC)(T)(107-94-8)
方法一:有多种制备方法。丙酸在约20℃和紫外光照射下氯化得3-氯丙酸；也可向丙烯酸中加入极少量对苯二酚，然后于20℃以下通入干燥的氯化氢反应。再经减压蒸馏即得成品。另外，向热盐酸中加入丙烯腈，回流反应6h。将反应物冷却，过滤出生成的氯化铵，用乙醚提取，加20%氯化铵溶液洗去盐酸，干燥，回收乙醚后，减压蒸馏得到3-氯丙酸。还可用丙烯醛与氯化氢反应生成氯丙醛，再用硝酸氧化，或由3-氯-1-丙醇用硝酸氧化来制备3-氯丙酸。
有腐蚀性，勿与皮肤接触。
溶于水，溶于乙醇、乙醚、氯仿。有腐蚀性，勿与皮肤接触。
灭火剂:砂土、泡沫、雾状水、二氧化碳
毒性分级:高毒
Acros Organics:3-氯丙酸 3-Chloropropionic acid, 98%(107-94-8)
Alfa Aesar:3-氯丙酸,98% 3-Chloropropionic acid, 98%(107-94-8)
外观性质:白色针状结晶。
类别:腐蚀物品
Sigma Aldrich:107-94-8(sigmaaldrich)