1-Bromo-2-butanone (HCID 13156)

개요

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

이름 및 식별자

우선 이름: 1-Bromo-2-butanone
IUPAC: 1-bromobutan-2-one
영어명: 1-BROMO-2-BUTANONE
분자식: C4H7BrO
분자량: 151

이름 및 동의어

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

이름 더 보기

1-Brombutanon-(2)tl8191-bromo-2-butanonBrommethylethylketon

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 51.5

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

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

물리화학적 성질

끓는 점: 105 °C150 · 105 °C150 mm Hg(lit.)
밀도: 1.479 g/mL · 1.479 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.465(lit.)
인화점: 155 °F · 155 °F
저장 조건: Keep Cold
물리적 상태: 액체
Specific Gravity: 1.479 · 1.479
색상: 무색~연황색
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

화학적 성질

colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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.

안전 및 보호

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)]:

독성 정보

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

안전 데이터

wgk: 3
rtecs: EL7000000
ridadr: 1693
HS 번호: 29147000
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi,F
safety_code: 26-27-36/37/39
포장분류: III
위험 등급: 6.1
위험 참고 사항: Harmful/Irritant/Lachrymatory
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도1-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.