CAS 590-92-1 MFCD00002763-3-Bromopropionic acid 3-溴丙酸 TAO{mole}

3-Bromopropionic acid 3-溴丙酸

CAS 590-92-1 MFCD00002763

化学结构图

SMILES: O=C(O)CCBr

化学属性

Mol. Formula	C3H5BrO2
Mol. Weight	153
Density	1.48
Flash Point	65°(149°F)
Solubility	溶于水、乙醇、乙醚、丙酮、氯仿。
TSCA	Yes
Boiling Point	142°C/45mmHg(lit.)
Melting Point	61.0 to 64.0 deg-C
Stability	对光敏感

别名和识别编码

Chemical Name	3-Bromopropionic acid
CAS Number	590-92-1
Alfabeta Name	BROMOPROPIONICACID 3-
MDL Number	MFCD00002763
Synonym	-Bromopropionicacid 2-Carboxyethyl bromide 2-carboxyethylbromide 3-BROMOPROPIONIC ACID 3-BROMOPROPIONIC ACID (BETA-) 98+% 3-BROMPROPIONIC ACID 3-Bromo-propionic acid 3-Bromopropanoic acid 3-Bromopropionic acid 3-Bromopropionicacid,98% 3-Bromopropionsäure 3-Bromoprpionicacid 3-Brompropionsäure 3-bromo-Propanoicacid 3-bromo-propanoicaci 3-bromo-propionicaci 3-bromopropanoicacid 3-bromopropionic acid 3-溴丙酸 3-溴丙酸,98% B-BROMOPROPIONIC ACID BETA-BROMOPRIOPIONICACID BETA-BROMOPROPIONIC ACID Propanoic acid, 3-bromo- Propanoicacid,3-bromo- Propionic acid, 3-bromo- RARECHEM AL BO 0160 {PubChem
EC Number	209-694-1
Beilstein Registry Number	2,256
Merck Number	1433
PubChem Substance ID	11553
Chemical Name Translation	3-溴丙酸
Reaxys-RN	1071333
Wiswesser Line Notation	QV2E
LabNetwork Molecule ID	LN00223984
InChI	InChI=1S/C3H5BrO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)

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产品应用

用于有机合成。

安全信息

Warnings 危化品目录(2015) IRRITANT

Signal word

GHS Symbol

WGK Germany3

Safety Statements

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

R34 Causes burns 会导致灼伤
R11 Highly flammable 非常易燃
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。
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。
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。
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。
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+P312
P301+P330+P331
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+P313
P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
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.....

RTECSUE7875000

Packing GroupIII

UN Number UN 3261 8/PG 2 3261

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

Hazard Codes F,C

Storage condition 密封避光保存。 2-8°C

Hazard Class8

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 580 mg/kg/8W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent 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       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 6,228,1954

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 25 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 危险品

其他信息

MSDS 信息:3-溴丙酸(590-92-1).msds
TCI Shanghai:3-溴丙酸 3-Bromopropionic Acid,>;98.0%(GC)(T)(590-92-1)
图谱信息:3-溴丙酸(590-92-1)红外图谱(IR3) 3-溴丙酸(590-92-1)红外图谱(IR1) 3-溴丙酸(590-92-1)红外图谱(IR2) 3-溴丙酸(590-92-1)Raman光谱 3-溴丙酸(590-92-1)质谱(MS) 3-溴丙酸(590-92-1)核磁图( 1 HNMR) 3-溴丙酸(590-92-1)核磁图( 13 CNMR)
外观性质:无色片状结晶。
下游产品:4-羟基-6-溴-2,3-二氢硫色烯-1,1-二氧化物 --> beta-丙内酯 --> 6-溴-2,3-二氢硫色烯-1,1-二氧化物-4-酮 --> 6-溴-2,3-二氢硫色烯-4-酮 --> 3-溴丙酸乙酯 --> 2,3-二氢苯并吡喃-4-酮
可燃性危险特性:明火可燃; 热分解排出有毒溴化物烟雾
类别:有毒物品
溶于水、醇、醚、氯仿和苯。在碱性水溶液中水解生成羟基丙酸。
MOL 文件:590-92-1.mol
毒性分级:中毒
3-溴丙酸价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 80021824 3-溴丙酸;β-溴代丙酸 25g 81.9元 2011/04/16 B0645 3-溴丙酸 3-Bromopropionic Acid 25G 197元 2011/04/16 B0645 3-溴丙酸 3-Bromopropionic Acid 500G 1720元
急性毒性:腹腔-小鼠 LDL0: 500 毫克/ 公斤
上游原料:3-羟基丙腈
Acros Organics:3-Bromopropionic acid, 99%(590-92-1)
海关编码:29159080
检测方法:T,NMR
Sigma Aldrich:590-92-1(sigmaaldrich)
方法一:由丙烯腈与溴化氢反应制得溴丙腈进而水解而得3-溴丙酸。在沸腾的氢溴酸中加入丙烯腈，在130℃回流反应6h，过滤得到的固体用乙醇提取，回收乙醇后的粗品经减压蒸馏而得。由2-氰乙醇与40%氢溴酸一起加热回流2h，也可生产3-溴丙酸，产率80%以上。
Alfa Aesar:3-溴丙酸,97% 3-Bromopropionic acid, 97%(590-92-1)
Hazard Note:Corrosive/Highly Flammable
用途一:用于有机合成
灭火剂:泡沫、干粉、二氧化碳、雾状水
储运特性:库房通风低温干燥; 与食品、氧化剂、碱类分开储运