Butanoic acid, 2-bromo-, ethyl ester (HCID 79039)

名称と識別子

優先名称: Butanoic acid, 2-bromo-, ethyl ester
IUPAC: ethyl 2-bromobutanoate
現地名: 2-ブロモ酪酸エチル
英語名: DL-Ethyl 2-bromobutyrate
分子式: C6H11BrO2
分子量: 195.05

名称と別名

Ethyl 2-bromobutyrate533-68-6Butanoic acid, 2-bromo-, ethyl ester2-Bromobutyric Acid Ethyl EsterEthyl alpha-bromobutyrateEthyl .alpha.-bromobutyrateUNII-SB2GD08LJASB2GD08LJANSC-8855EINECS 208-574-6AI3-52371Ethyl .alpha.-bromo-n-butyrate

名称をさらに表示

2-ブロモ酪酸エチル2-ブロモブタン酸エチルエチル2-ブロモブチラートα-ブロモ酪酸エチルDL-2-ブロモ酪酸エチルEthyl 2-bromobutanoate2- broMobutanoateEthyl 2-broMobutyr2-ethyl bromobutyrateethyl2-bromobutanoateEthy1-2-bromobutyrateα-ethyl bromobutyrate*Tramadol Impurity 13

DTXSID30870591EC 208-574-6.alpha.-Bromo-n-butyric acid ethyl esterRefChem:122085Ethyl alpha-bromo-n-butyrateDTXCID10818299alpha-Bromo-n-butyric acid ethyl esterETHYL ALPHA-BROMOBUTYRATE, (+-)-

データベース識別子

CAS: 533-68-6
PubChem CID: 79039
DTXSID: DTXSID30870591
UNII: SB2GD08LJA
EC Number: 208-574-6
Nikkaji: J125.370K

物性

構造計算による物性

XLogP: 2.2
極性表面積: 26.3 Å²
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: 4
重原子数: 9
形式電荷: 0
複雑度: 93.1

物理化学的性質

融点: -4 °C · -4°C
沸点: 177 °C · 177 °C (lit.)
比重(密度): 1.321 g/mL · 1.321 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.447(lit.)
闪点: 137 °F · 137 °F
貯蔵温度: 2 · 2-8°C
外見: clear liquid
色: Colorless to Almost colorless
水溶解度: 水に不溶。アルコールおよびエーテルと混合可能
Merck: 14 · 14,1413
BRN: 969841 · 969841
Dielectric constant: 8 · 8.0(20℃)
InChIKey: XIMFCGSNSKXPBO-UHFFFAOYSA-N
CAS データベース: 533 · 533-68-6(CAS DataBase Reference)
NISTの化学物質情報: 2 · Butanoic acid, 2-bromo-, ethyl ester(533-68-6)
EPAの化学物質情報: 2 · Ethyl 2-bromobutyrate (533-68-6)

化学的性質

化学的特性clear colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (96%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 7 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: 27-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/5938

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

Hazard Classes and CategoriesFlam. Liq. 3 (96%)

安全データ

F: 8-19
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29159080
risk_code: 22-37/38-41-36/37/38
化審法: (2)-1179
消防法: 危-4-3-III
hazard_code: Xn,Xi
safety_code: 26-39-24/25-23
hazard_class: 3
packing_group: III

化学と産業

用途と製造

General Manufacturing InformationButanoic acid, 2-bromo-, ethyl ester: ACTIVE

応用分野

使用Ethyl 2-bromobutyrate, is an important raw material and an intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used for agrochemical and pharmaceutical intermediate.