2-Propenoic acid, 2-(bromomethyl)-, methyl ester

HCID 521093CAS 4224-69-5

기본 정보

표준 SMILES: C=C(CBr)C(=O)OC
InChIKey: CFTUQSLVERGMHL-UHFFFAOYSA-N
분자식: C5H7BrO2
평균 분자량: 179.01 g/mol
단동위원소 질량: 177.96294156

이름 및 식별자

우선 이름: 2-Propenoic acid, 2-(bromomethyl)-, methyl ester
IUPAC: methyl 2-(bromomethyl)prop-2-enoate
영어명: Methyl 2-(bromomethyl)acrylate
분자식: C5H7BrO2
분자량: 179.01

이름 및 동의어

methyl 2-(bromomethyl)prop-2-enoateMethyl 2-(bromomethyl)-2-propenoate2-Propenoic acid, 2-(bromomethyl)-, methyl esterDTXSID4075243RefChem:479158DTXCID20400742-Propenoic acid, 2-(bromomethyl)-, methyl ester (9CI)627-431-2Methyl 2-(bromomethyl)acrylate4224-69-5MFCD000116972-(Bromomethyl)acrylic Acid Methyl Ester

이름 더 보기

2-BROMOMETHYL METHYL ACRYLATEMethyl 2-(bromomethyl)propenoateMethyl2-(Bromomethyl)acrylate>methyl2-(bromomethyl)-2-propenoateMethyl 2-(bromomethyl)acrylate,96%2-(bromomethyl)-acrylicacimethylesterMethyl 2-(broMoMethyl)acrylate, 96% 5GRα-(Bromomethyl)acrylic acid methyl ester

2-(bromomethyl)-2-propenoicacimethylesterMethyl alpha-(bromomethyl)acrylatemethyl 2-bromomethylacrylateBRN 1852481Methyl2-(Bromomethyl)acrylateAcrylic acid, 2-(bromomethyl)-, methyl esterMethyl Bromomethyl Acrylatemethyl-2-bromomethylacrylate

데이터베이스 식별자

CAS: 4224-69-5
PubChem CID: 521093
DTXSID: DTXSID4075243
ChEMBL: CHEMBL1255721
EC Number: 627-431-2
Nikkaji: J450.250G

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 109

물리화학적 성질

끓는 점: 35 · 35-37 °C/1.3 mmHg (lit.)
밀도: 1.489 g/mL · 1.489 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.490(lit.)
인화점: 173 °F · 173 °F
저장 조건: -20 °C · -20°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
색상: 투명한 무색~약간 갈색을 띤다.
BRN: 1852481 · 1852481
안정성: 감광성
InChI: InChI=1S/C5H7BrO2/c1-4(3-6)5(7)8-2/h1,3H2,2H3
InChIKey: CFTUQSLVERGMHL-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(CBr)=C
NIST: 2 · Methyl 2-(bromomethyl)acrylate(4224-69-5)
EPA: 2 · 2-Propenoic acid, 2-(bromomethyl)-, methyl ester (4224-69-5)

화학적 성질

Clear colorless to slightly brownish liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information2-Propenoic acid, 2-(bromomethyl)-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)