Methyl 4-bromobutyrate (HCID 107604)

名称と識別子

優先名称: Methyl 4-bromobutyrate
IUPAC: methyl 4-bromobutanoate
現地名: 4-ブロモ酪酸メチル
英語名: Methyl 4-bromobutyrate
分子式: C5H9BrO2
分子量: 181.03

名称と別名

Methyl 4-bromobutyrate4897-84-1EINECS 225-523-3DTXSID50197651RefChem:816295DTXCID10120142225-523-3methyl 4-bromobutanoateBr-C3-methyl ester4-Bromobutyric Acid Methyl EsterMETHYL-4-BROMOBUTYRATEMFCD00041482

名称をさらに表示

4-ブロモ酪酸メチル4-ブロモブタン酸メチル4-ブロモ酪酸メチル, 97%メチル 4-ブロモブタノアートBr(CH2)3C(O)OCH34-broMo butyrate4-bromopentanoateMethyl 4-broMobutyraMethl 4-broMobutyrateMETHYL 4-BROMO-N-BUTYRATEM**Methyl 4-bromobutyrate

Butanoic acid, 4-bromo-, methyl ester4-bromo-butyric acid methyl ester4-bromobutanoic acid methyl esterButyric acid, 4-bromo-, methyl esterMethyl gamma-bromobutyrate5RA3LF2EYNSCHEMBL260980orb1690499

データベース識別子

CAS: 4897-84-1
PubChem CID: 107604
DTXSID: DTXSID50197651
UNII: 5RA3LF2EYN
EC Number: 225-523-3
Nikkaji: J26.261G

物性

構造計算による物性

XLogP: 1.5
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: 8
形式電荷: 0
複雑度: 72

物理化学的性質

融点: 175 · 175-190 °C
沸点: 186 · 186-187 °C
比重(密度): 1.434 · 1.434
屈折率: 1.462 · 1.4620
闪点: 186 · 186-187°C
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: 液体
比重: 1.434 · 1.434
色: 無色透明～淡黄色
水溶解度: 不溶性
BRN: 1745618 · 1745618
InChI: InChI=1S/C5H9BrO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3
InChIKey: QAWFLJGZSZIZHO-UHFFFAOYSA-N
SMILES: C(OC)(=O)CCCBr
CAS データベース: 4897 · 4897-84-1(CAS DataBase Reference)
NISTの化学物質情報: 4 · Methyl 4-bromobutyrate(4897-84-1)

化学的性質

化学的特性Clear colorless to pale yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (30%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 6 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (10%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (30%)

安全データ

hs_code: 29156000
risk_code: 36/37/38-22
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 37/39-26-24/25

化学と産業

応用分野

用途有機合成原料。

上流・下流製品情報

上流原料

下流製品

シクロプロパンカルボン酸メチル Butanoic acid, 4-[4-(1-aminoethyl)-2-methoxy-5-nitrophenoxy]-, methyl ester Butanoic acid, 4-(2,6-dichlorophenoxy)-METHYL 4-(P-NITROPHENOXY)BUTYRATE METHYL 4-(4-FORMYL-2-METHOXYPHENOXY)BUTANOATE METHYL 4-[4-BENZYL-N-(2-METHOXYCARBONYLETHYL)]AMINOBUTYRATE

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]

南京兰亚化工贸易有限公司+86-25-8331-5620 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

4-ブロモ酪酸メチル

基本情報