基本信息
- 标准SMILES
CCOC(=O)C(C)Br- InChIKey
ARFLASKVLJTEJD-UHFFFAOYSA-N- 分子式
- C5H9BrO2
- 平均分子量
- 181.03 g/mol
- 单同位素质量
- 179.97859
名称与标识
- 首选名称
- Ethyl 2-bromopropionate
- IUPAC
- ethyl 2-bromopropanoate
- 中文名
- 2-溴丙酸乙酯
- 英文名
- Ethyl 2-bromopropionate
- 分子式
- C5H9BrO2
- 分子量
- 181.03
名称与别名
Ethyl 2-bromopropionate535-11-5Ethyl 2-bromopropanoateEthyl alpha-bromopropionatePropanoic acid, 2-bromo-, ethyl esterEthyl-2-bromopropionate2-Bromopropanoic acid ethyl ester2-Bromopropionic Acid Ethyl Esteralpha-Bromopropionic acid ethyl esterMFCD00000144NSC 675341978-69-2
展开更多名称
2-溴乙酸乙酯α-溴丙酸乙酯2-溴丙酸乙酯Α-溴代丙酸乙酯2-溴代丙酸乙酯乙基 2-溴丙酯乙基-2-溴丙酸酯沙库巴曲杂质1122-溴丙酸乙酯,98%2-溴丙酸乙酯 1KGDL-ETHYL 2-BROMOPROPIONATEEthyl 2-broMopropionEthyl-bromopropanoateEthyl 2-bromopropioteEthyl a-bromopropionateFlurbiprofen impurity ⅡSacubitril Impurity 1122-Bromopropionate ethyl
Ethyl .alpha.-bromopropanoateEthyl .alpha.-bromopropionate2-Bromopropanoic acid, ethyl esterEthyl dl-2-bromopropionatePropionic acid, 2-bromo-, ethyl esterCDA70611LZNSC-6753.alpha.-Bromopropionic acid ethyl ester
数据库标识
- CAS
41978-69-2、535-11-5- PubChem CID
- 79040
- DTXSID
DTXSID90871746- UNII
- CDA70611LZ
- EC Number
- 208-609-5、255-601-2
- Nikkaji
- J60.782G
性质
结构计算性质
- XLogP
- 1.7
- 极性表面积
- 26.3 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 3
- 重原子
- 8
- 形式电荷
- 0
- 复杂度
- 82
实验与物化性质
Physical DescriptionLiquid with a sharp pungent odor; Yellows on light exposure; [Merck Index] Clear light yellow liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index
906；909；907
931
1327；1340
物理化学性质
- 熔点
- 25 °C · <25 °C
- 沸点
- 156 · 156-160 °C (lit.)
- 密度
- 1.394 g/mL · 1.394 g/mL at 25 °C (lit.)
- 折射率
- 20 · n20/D 1.446(lit.)
- 闪点
- 125 °F · 125 °F
- 储存条件
- 30 °C · Store below +30°C.
- 溶解度
- Chloroform (Slightly), Methanol (Slightly)
- 形态
- Liquid
- 颜色
- Clear colorless to very slightly yellow
- 水溶解性
- Immiscible
- Merck
- 14 · 14,3772
- BRN
- 773920 · 773920
- 介电常数
- 9.3 · 9.3000000000000007
- 稳定性
- Corrosive
- InChI
- 1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3
- InChIKey
- ARFLASKVLJTEJD-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C(C)Br
- CAS 数据库
- 535 · 535-11-5(CAS DataBase Reference)
- NIST化学物质信息
- 2 · Propanoic acid, 2-bromo-, ethyl ester(535-11-5)
- EPA化学物质信息
- 2 · Propanoic acid, 2-bromo-, ethyl ester (535-11-5)
化学性质
无色液体。有强烈刺激气味，见光变黄。 与乙醇、乙醚、三氯甲烷相混溶，不溶于水。
安全与法规
GHS分类
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (10.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (69.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (13.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H335 (12.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危害信息
Regulatory Information
Chemical: Propanoic acid, 2-bromo-, ethyl ester
Status: Active Update: 10-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23965
Ethyl 2-bromopropionate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS] See Methyl dichloroacetate.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (10.6%)；Skin Corr. 1B (69.7%)；Skin Irrit. 2 (13.6%)；STOT SE 3 (12.1%)
毒理信息
Adverse EffectsDermatotoxin - Skin burns.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.
法规信息
Regulatory Information
Chemical: Propanoic acid, 2-bromo-, ethyl ester
Status: Active Update: 10-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23965
Ethyl 2-bromopropionate: Does not have an individual approval but may be used under an appropriate group standard
安全数据
- F
- 8-19
- wgk
- 3
- tsca
- TSCA listed
- 毒性
- LD50 orally in Rabbit: 281 mg/kg
- RTECS号
- UA2451730
- 包装类别
- III
- 危险等级
- 3
- 存储类别
- 3 - Flammable liquids
- 安全说明
- 16-26-36/37/39-45-37/39
- 海关编码
- 29159080
- 危险品标志
- C,Xn
- 危险性类别
- Flam. Liq. 3Skin Corr. 1B
- 危险类别码
- 10-34-36/37/38-20/22
- 危险品运输编号
- UN 2920 8/PG 2
化学与工业
用途与制造
General Manufacturing InformationPropanoic acid, 2-bromo-, ethyl ester: ACTIVE
应用领域
应用2-溴丙酸乙酯常用作有机合成和农药分子合成中间体，多用于农药分子的生产制备过程中，例如它是农药分子除草剂喹禾灵的关键合成中间体。
用途用作除草剂喹禾灵的专用合成中间体
用途α-溴代丙酸乙酯是除草剂喹禾灵、噁唑禾草灵、噻唑禾草灵、氟吡氯禾草灵、吡氟禾草灵、乳氟禾草灵、异丙甲草胺、敌草胺及杀菌剂甲霜灵、苯霜灵、腐霉利等的中间体。
用途用作溶剂，也用于有机合成
制备方法
生产方法其制备方法是将丙酸和赤磷投入反应瓶内，在60℃滴加溴素约3h加完，升温至100～120℃，保温搅拌6h，冷却，过滤，滤液加热蒸馏，再分馏得2-溴代丙酰溴，将2-溴代丙酰溴与无水乙醇反应即得成品。反应方程式如：CH3CH2COOH+Br2[P]→CH3CHBrCOBr+H2OCH3CHBrCOBr+C2H5OH→CH3CHBrCOOC2H5+HBr
生产方法由丙酸先后与二氯亚砜、溴反应得到2-溴丙酰氯（[7148-74-5]），进而与乙醇反应制得该品。
上下游产品信息
上游原料
下游产品
试剂价格
- A10820 · 250g
- 2-溴丙酸乙酯, 99% Ethyl 2-bromopropionate, 99% — 456元
- 11814 · 250g
- 外消旋-乙基-2-溴丙酸酯，99%DL-Ethyl 2-bromopropionate, 99%, Thermo Scientific Chemicals — 1096元
供应商2 家
武汉弘德悦欣医药科技有限公司027-83850116 18164090116 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
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