2-Chloropropionic Acid 2-氯丙酸

CAS 598-78-7 MFCD00004224

化学结构图

598-78-7
SMILES: CC(Cl)C(=O)O

化学属性

Mol. FormulaC3H5ClO2
Mol. Weight109
Density1.182
Refractive index1.4320 to 1.4360
Flash Point106°C(lit.)
TSCAYes
Boiling Point170-190
Melting Point-14--12°C
Vapor Pressure4 mmHg ( 20 °C)
Solubility与水混溶,可混溶于乙醚、丙酮、苯、四氯化碳。

别名和识别编码

Chemical Name2-Chloropropionic Acid
Synonym Propionic acid, 2-chloro- (±)-2-Chloropropionic acid (RS)-2-Chloropropionic acid (±)-2-Chloropropanoic acid Propio 2-氯代丙酸 1-Chlorpropionsäure 2-Chlorpropansäure 2-氯丙酸 (R,S)-2-Chloro-propionicacid (±)-α-Chloropropanoic acid alpha-chloro-propionicaci (±)-2-chloro-propionic acid 2-Chloropropionic acid alpha-Monochloropropionic acid Propanoic acid, 2-chloro- (R,S)-2-Chloro-propionic acid (±)-2-Chloropropionicacid,97% α-氯代初油酸 ALPHA-氯丙酸 (+/-)-2-CHLOROPROPIONIC ACID 2-chloropropionic ALPHA-CHLOROPROPIONIC ACID 2-chloro-propionicaci A-CHLOROPROPIONIC ACID alpha-Chloropropionic acid
MDL NumberMFCD00004224
CAS Number598-78-7
EC Number209-952-3
Beilstein Registry Number1720259
PubChem Substance ID87565429
Reaxys-RN773799
Chemical Name Translation2-氯丙酸
Wiswesser Line NotationQVYG1
LabNetwork Molecule IDLN00201969
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分类

  • {SNA} Building Blocks, C1 to C5, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carboxylic acid; racemate; 1fragment
  • {Chemicalbook} 农药中间体: 杀菌剂中间体: 酰胺类杀菌剂

产品应用

  • 用于有机合成及作为除草剂的中间体。

相关文献及参考

  • Condensation of the dilithio-derivative with carbonyl compounds gives ɑß-epoxycarboxylic acids (glycidic acids) which afford methyl ketones on decarboxylation, avoiding possible ester hydrolysis in the classical Darzens glycidic ester condensation (see Ethyl­ chloroacetate, A15554): J. Org. Chem., 47, 1205 (1982). An analogous reaction of the dianion with ɑß-unsaturated esters gives, stereoselectively, cyclopropane cis-dicarboxylic acids: Synthesis, 284 (1982):
  • Beilstein:2,248
  • Short: EINECS
  • Short: III/35E
  • Short: III/38B

安全信息

RTECSUE8575000
Packing GroupIII
UN Number UN2511
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R35 Causes severe burns 会导致严重灼伤
  • R22 Harmful if swallowed 吞咽有害
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • 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;
  • 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);
  • 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;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
GHS Symbol
WGK Germany1
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • 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。
  • P303+P361+P353+P310+P363
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P405 Store locked up. 上锁保管。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • P308+P311
  • P303+P361+P353
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P304+P340+P310
  • P304+P340+P311
  • P403+P233
  • 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。
  • P305+P351+P338+P310
Signal word
Hazard Codes C
Hazard Class8
Warnings 危化品目录(2015)
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Kidney, Ureter, Bladder - hematuria
   Skin and Appendages - hair
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0555355

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 126 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85INA8 "Documentation of the Threshold Limit Values and Biological Exposure
   Indices," 5th ed., Cincinnati, OH, American Conference of Governmental
   Industrial Hygienists, Inc., 1986  Volume(issue)/page/year: 5,136(89),1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 800 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Kidney, Ureter, Bladder - hematuria
   Skin and Appendages - hair
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0555355

Restrict 危险品

其他信息

  • 职业标准:TLV-TWA 0.1 PPM; STEL 2 毫克/ 立方米
  • 用途四:主要用于生产农药除草剂。2-氯丙酸还用于生产乳酸及有工业价值的低级醇酯。。
  • 蒸气压:4 mm Hg ( 20 °C)
  • 急性毒性:皮下- 豚鼠 LD50: 126 毫克/ 公斤
  • MSDS 信息:2-氯丙酸(598-78-7).msds
  • 可燃性危险特性:可燃;加热分解有毒氯化物烟雾
  • 储运特性:库房通风低温干燥; 与氧化剂、碱类分开存放。
  • MOL 文件:598-78-7.mol
  • 外观性质:无色液体,有特殊臭味。
  • Acros Organics:2-氯丙酸 2-Chloropropionic acid, 95%(598-78-7)
  • 海关编码:29159080
  • 类别:腐蚀物品
  • 方法二:由丙酸氯化而得。
  • 用途三:α-氯代丙酸是杀菌剂甲霜灵、苯霜灵、恶霜灵,除草剂禾草灵、喹禾灵、吡氟禾草灵、噻唑禾草灵、恶唑禾草灵、氟吡禾灵、乳氟禾草灵和茅草枯、2,4滴丙酸盐、2甲4氯丙酸盐等的中间体。
  • 方法一:其制备方法是在反应釜内加入丙酸和一定量的催化剂PCl 3 ,在120~125℃下通入氯气,控制反应物的相对密度,达到反应终点,停止通氯气,降温至室温,用空气或氮气赶走多余的氯气和氯化氢,经减压分馏得到产品。 CH 3 CH 2 COOH+Cl 2 [PCl 3 ]→CH 3 CHClCOOH+HCl
  • 图谱信息:2-氯丙酸(598-78-7)红外图谱(IR1) 2-氯丙酸(598-78-7)质谱(MS) 2-氯丙酸(598-78-7)核磁图( 1 HNMR) 2-氯丙酸(598-78-7)Raman光谱 2-氯丙酸(598-78-7)核磁图( 13 CNMR)
  • 2-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 L0731802 (+/-)-2-氯丙酸98% 500g 504元 2011/04/16 C0275 2-氯丙酸 2-Chloropropionic Acid 500G 560元 2011/04/16 C0275 2-氯丙酸 2-Chloropropionic Acid 25G 131元
  • 上游原料:氯 --> 丙酸
  • 灭火剂:砂土、泡沫、雾状水、二氧化碳
  • 用途一:用于有机合成
  • 用途五:用于有机合成及作为除草剂的中间体。
  • 有特殊臭味,与水混溶,可混溶于乙醚、苯、丙酮、四氯化碳等大多数有机溶剂。
  • 毒性分级:高毒
  • Alfa Aesar:(±)-2-氯丙酸,97% (+/-)-2-Chloropropionic acid, 97%(598-78-7)
  • 用途二:用于农药、医药、染料中间体及其他有机合成
  • 下游产品:L-丙氨酸 --> DL-丙氨酸 --> 萘丙胺 --> 布洛芬 --> 敌草胺 --> 2,4-滴丙酸 --> N,N-二乙基-2-氯丙酰胺
  • Sigma Aldrich:598-78-7(sigmaaldrich)
  • TCI Shanghai:2-氯丙酸 2-Chloropropionic Acid,>;98.0%(GC)(T)(598-78-7)

系列性分类


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