1-Bromo-2-methyl-1-propene

HCID 98560CAS 3017-69-4

기본 정보

표준 SMILES: CC(C)=CBr
InChIKey: DEFNUDNHTUZJAL-UHFFFAOYSA-N
분자식: C4H7Br
평균 분자량: 135 g/mol
단동위원소 질량: 133.97311232

이름 및 식별자

우선 이름: 1-Bromo-2-methyl-1-propene
IUPAC: 1-bromo-2-methylprop-1-ene
영어명: 1-BROMO-2-METHYLPROPENE
분자식: C4H7Br
분자량: 135

이름 및 동의어

1-Bromo-2-methyl-1-propene1-Propene, 1-bromo-2-methyl-NSC 148224DTXSID40184252RefChem:75077DTXCID501067431-Propene, 1-bromo-2-methyl-(9CI)629-499-9DEFNUDNHTUZJAL-UHFFFAOYSA-N3017-69-41-bromo-2-methylprop-1-ene1-Bromo-2-methylpropene

이름 더 보기

2-methyl-1-propenylbromideIsocrtyl bromide1-Bromoisobutene1-Bromo-2-methyL(Z)-1-Bromo-2-butene(2Z)-1-Bromo-2-butene

Isocrotyl bromide2-Methyl-1-propenyl bromidePropene, 1-bromo-2-methyl-.beta.,.beta.-Dimethylvinylbromide1-Bromo-2-methyl-propeneMFCD00009885NSC-148224NSC148224

데이터베이스 식별자

CAS: 3017-69-4
PubChem CID: 98560
DTXSID: DTXSID40184252
ChEMBL: CHEMBL157418
UNII: VJM9JG6TGN
EC Number: 629-499-9
Nikkaji: J151.260I

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 5
형식 전하: 0
복잡도: 41.6

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

물리화학적 성질

녹는점: -115.07 °C · -115.07°C (estimate)
끓는 점: 92 °C · 92 °C (lit.)
밀도: 1.318 g/mL · 1.318 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.462(lit.)
인화점: 46 °F · 46 °F
저장 조건: 2 · 2-8°C
물리적 상태: liquid
BRN: 1733844 · 1733844
InChI: InChI=1S/C4H7Br/c1-4(2)3-5/h3H,1-2H3
InChIKey: DEFNUDNHTUZJAL-UHFFFAOYSA-N
SMILES: C(/Br)=C(\C)/C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 2
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 16-26-33
포장분류: II
위험 등급: 3.1
F 고인화성물질: 8-19
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도1-Bromo-2-methyl-1-propene has been used in:preparation of esters of 2,4-dienoic acids via palladium catalyzed reaction with methyl acrylate in the presence of triethylaminetotal synthesis of ocular age pigment, A2-Esynthesis of 3-nor-geraniol [2H2]