2-ブロモイソ酪酸エチル

Propanoic acid, 2-bromo-2-methyl-, ethyl ester

HCID 11745CAS 600-00-0
部分構造検索類似構造を探す

基本情報

標準SMILES
CCOC(=O)C(C)(C)Br
InChIKey
IOLQWGVDEFWYNP-UHFFFAOYSA-N
分子式
C6H11BrO2
平均分子量
195.05 g/mol
単同位体質量
193.99424169

名称と識別子

優先名称
Propanoic acid, 2-bromo-2-methyl-, ethyl ester
IUPAC
ethyl 2-bromo-2-methylpropanoate
現地名
2-ブロモイソ酪酸エチル
英語名
Ethyl 2-bromoisobutyrate
分子式
C6H11BrO2
分子量
195.05

名称と別名

Ethyl 2-bromoisobutyrate600-00-0Ethyl 2-bromo-2-methylpropionatePropanoic acid, 2-bromo-2-methyl-, ethyl esterNSC 94652-Bromo-2-methylpropanoic acid, ethyl esterNSC 402034alpha-Bromoisobutyric acid, ethyl esterEthyl alpha-bromo-alpha-methylpropionateCCRIS 6546EINECS 209-980-6Propionic acid, 2-bromo-2-methyl-, ethyl ester
名称をさらに表示
2-ブロモイソ酪酸エチル2-メチル-2-ブロモプロピオン酸エチル2-ブロモ-2-メチルプロピオン酸エチルα-ブロモイソ酪酸エチル2-ブロモ-2-メチルプロパン酸エチル2-メチル-2-ブロモプロパン酸エチルブロムイソ酪酸エチル2‐ブロモイソ酪酸エチル2-ブロモイソ酪酸エチル, 98+%Ethyl 2-bromo-2-methylpropanoateEthyl α-bromoisobutyrate2-BROMO-2-METHYLPROPIONIC ACID ETHYL ESTERα-bromoisobutyrateETHYL A-BROMOISOBUTYRATEEthyl α-broMo-Ethyl-2-bromo-2-weather sensors sixEthyl dimethylacetate
DTXSID4060523EC 209-980-6RefChem:869188Ethyl alphabromoisobutyrateEthyl 2bromo2methylpropanoateEthyl 2bromo2methylpropionateDTXCID60427392Bromoisobutyric acid ethyl ester

データベース識別子

CAS
600-00-0
PubChem CID
11745
DTXSID
DTXSID4060523
UNII
5H4TN4F3C4
EC Number
209-980-6
Nikkaji
J96.543J

物性

構造計算による物性

XLogP
1.9
極性表面積
26.3 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
3
重原子数
9

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Esters
SpringerMaterials PropertiesBoiling point
Vapor Pressure2.61 [mmHg]
Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

物理化学的性質

沸点
65 · 65-67 °C11 mm Hg(lit.)
比重(密度)
1.329 g/mL · 1.329 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.444(lit.)
闪点
140 °F · 140 °F
貯蔵温度
2 · 2-8°C
外見
液体

化学的性質

化学的特性colourless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 81 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 04-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13603

Ethyl 2-bromo-2-methylpropionate: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

A mild skin and severe eye irritant (may cause eye injury); May cause skin sensitization; Possible mutagen by oral exposure; [ECHA REACH Registrations] An irritant that may cause serious eye injury; A lachrymator; Harmful by ingestion; [Sigma-Aldrich MSDS] See Ethyl 2-bromopropionate.

Hazard Classes and CategoriesFlam. Liq. 3 (97.5%)

毒性情報

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

安全データ

F
19
wgk
3
tsca
TSCA listed
ridadr
UN 1992 3/PG 3
hs_code
29159080
risk_code
22-41-36/37/38

化学と産業

用途と製造

UsesUsed to make fine and large scale chemicals and pharmaceuticals; [ECHA REACH Registrations]
General Manufacturing InformationPropanoic acid, 2-bromo-2-methyl-, ethyl ester: ACTIVE

応用分野

使用Ethyl 2-bromoisobutyrate is used as an Atom Transfer Radical Polymerization (ATRP) initiator that will generate a polymer with an ethyl end group.

上流・下流製品情報

上流原料

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

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