알릴2-브로모-2-메틸프로피오네이트

Allyl 2-bromo-2-methylpropionate

HCID 4524555

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 40630-82-8
표준 SMILES: C=CCOC(=O)C(C)(C)Br
InChIKey: WIPLNCYPGHUSGF-UHFFFAOYSA-N
분자식: C7H11BrO2
평균 분자량: 207.06 g/mol
단동위원소 질량: 205.99424169

이름 및 식별자

우선 이름: Allyl 2-bromo-2-methylpropionate
IUPAC: prop-2-enyl 2-bromo-2-methylpropanoate
현지명: 알릴2-브로모-2-메틸프로피오네이트
영어명: Allyl 2-bromo-2-methylpropionate
분자식: C7H11BrO2
분자량: 207.07

이름 및 동의어

Allyl 2-bromo-2-methylpropionate40630-82-8DTXSID40403930RefChem:318060DTXCID70354784628-330-6prop-2-enyl 2-bromo-2-methylpropanoatePropanoic acid, 2-bromo-2-methyl-, 2-propenyl esterAllyl2-bromo-2-methylpropionateallyl 2-bromo-2-methylpropanoateMFCD00134552allyl 2-bromoisobutyrate

이름 더 보기

알릴2-브로모-2-메틸프로피오네이트DK289Allyl α-bromoisobutyrateAllyl 2-broMo-2-Methylpropionate 98%Propanoic acid, 2-bromo-2-methyl-, 2-propen-1-yl ester

prop-2-en-1-yl 2-bromo-2-methylpropanoateFenofibrate Impurity 26SCHEMBL463385allyl 2-methyl-2-bromopropionateWIPLNCYPGHUSGF-UHFFFAOYSA-Nallyl 2-bromo-2-methyl-propanoateAKOS015894445Allyl 2-bromo-2-methylpropionate, 98%

데이터베이스 식별자

CAS: 40630-82-8
PubChem CID: 4524555
DTXSID: DTXSID40403930
EC Number: 628-330-6
Nikkaji: J1.246.944F

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 10
형식 전하: 0
복잡도: 141

물리화학적 성질

끓는 점: 50 · 50-51 °C/12 mmHg (lit.)
밀도: 1.302 g/mL · 1.302 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.462(lit.)
인화점: 147 °F · 147 °F
Specific Gravity: 1.302 · 1.302
InChI: 1S/C7H11BrO2/c1-4-5-10-6(9)7(2,3)8/h4H,1,5H2,2-3H3
InChIKey: WIPLNCYPGHUSGF-UHFFFAOYSA-N
SMILES: CC(C)(Br)C(=O)OCC=C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.