1-Bromo-2-butanone (HCID 13156)

概要

1-bromo-2-butanone appears as a colorless to straw-colored liquid. Toxic by inhalation, skin contact or ingestion.

名称と識別子

優先名称: 1-Bromo-2-butanone
IUPAC: 1-bromobutan-2-one
現地名: 1-ブロモ-2-ブタノン
英語名: 1-BROMO-2-BUTANONE
分子式: C4H7BrO
分子量: 151

名称と別名

1-BROMO-2-BUTANONE816-40-01-bromobutan-2-one2-Butanone, 1-bromo-Bromomethyl ethyl ketoneEINECS 212-431-3BRN 0741894DTXSID002312164-01-00-03258 (Beilstein Handbook Reference)RefChem:75057DTXCID00153707CCXQVBSQUQCEEO-UHFFFAOYSA-N

名称をさらに表示

1-ブロモ-2-ブタノン1-ブロモ-2-ブタノン (STABILISED WITH CALCIUM CARBONATE)1-ブロモブタン-2-オン1-Brombutanon-(2)tl8191-bromo-2-butanonBrommethylethylketon

1-BromobutanoneTL 8191-bromo-butan-2-oneMFCD000002074UPM4J7CVAbromobutanonebromobutan-2-one2-Oxobutyl bromide

データベース識別子

CAS: 816-40-0
PubChem CID: 13156
DTXSID: DTXSID00231216
UNII: 4UPM4J7CVA
EC Number: 212-431-3
Nikkaji: J42.075A

物性

構造計算による物性

XLogP: 1.2
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 6
形式電荷: 0
複雑度: 51.5

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

Physical Description1-bromo-2-butanone appears as a colorless to straw-colored liquid. Toxic by inhalation, skin contact or ingestion.

物理化学的性質

沸点: 105 °C150 · 105 °C150 mm Hg(lit.)
比重(密度): 1.479 g/mL · 1.479 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.465(lit.)
闪点: 155 °F · 155 °F
貯蔵温度: Keep Cold
外見: 液体
比重: 1.479 · 1.479
色: 無色～淡黄色
BRN: 741894 · 741894
InChI: InChI=1S/C4H7BrO/c1-2-4(6)3-5/h2-3H2,1H3
InChIKey: CCXQVBSQUQCEEO-UHFFFAOYSA-N
SMILES: C(Br)C(=O)CC
CAS データベース: 816 · 816-40-0(CAS DataBase Reference)

化学的性質

化学的特性colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

DOT LabelPoison

Fire HazardsExcerpt from ERG Guide 159 [Substances (Irritating)]:

Health HazardsExcerpt from ERG Guide 159 [Substances (Irritating)]:

Reactive GroupHalogenated Organic Compounds

Reactivity ProfileSome of these materials may burn, but none ignite readily. Containers may explode when heated.

Air and Water ReactionsWater soluble.

安全と保護具

Fire FightingExcerpt from ERG Guide 159 [Substances (Irritating)]:

First AidExcerpt from ERG Guide 159 [Substances (Irritating)]:

Nonfire Spill ResponseExcerpt from ERG Guide 159 [Substances (Irritating)]:

Isolation and EvacuationExcerpt from ERG Guide 159 [Substances (Irritating)]:

Personal Protective Equipment (PPE)Excerpt from ERG Guide 159 [Substances (Irritating)]:

毒性情報

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

安全データ

wgk: 3
rtecs: EL7000000
ridadr: 1693
hs_code: 29147000
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi,F
hazard_note: Harmful/Irritant/Lachrymatory
safety_code: 26-27-36/37/39
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

用途有機合成用試薬。

使用1-Bromo-2-butanone (bromomethyl ethyl ketone) was used as a potential regulatory site-directed reagent for the residue C221 on pyruvate decarboxylase. It was also used as a reagent for aromatic bromination with sodium hydride in DMSO and in a microwave-assisted preparation of fused heterocycles.