tert-부틸2-(브로모메틸)아크릴레이트

Tert-butyl 2-(bromomethyl)prop-2-enoate

HCID 10955115

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 53913-96-5
표준 SMILES: C=C(CBr)C(=O)OC(C)(C)C
InChIKey: AEZPDFMFNUKVCF-UHFFFAOYSA-N
분자식: C8H13BrO2
평균 분자량: 221.09 g/mol
단동위원소 질량: 220.00989

이름 및 식별자

우선 이름: Tert-butyl 2-(bromomethyl)prop-2-enoate
IUPAC: tert-butyl 2-(bromomethyl)prop-2-enoate
현지명: tert-부틸2-(브로모메틸)아크릴레이트
영어명: tert-butyl 2-(bromomethyl)acrylate
분자식: C8H13BrO2
분자량: 221.09

이름 및 동의어

Tert-butyl 2-(bromomethyl)prop-2-enoateRefChem:892405895-616-753913-96-5TERT-BUTYL 2-(BROMOMETHYL)ACRYLATEMFCD170135201,1-Dimethylethyl 2-(bromomethyl)-2-propenoate2-(bromomethyl)propenoic acid t-butyl ester2-Propenoic acid, 2-(bromomethyl)-, 1,1-dimethylethyl esterSCHEMBL377294t-butyl 2-bromomethyl acrylatet-butyl 2-bromomethylpropenoate

이름 더 보기

tert-부틸2-(브로모메틸)아크릴레이트2-(Bromomethyl)-2-propenoic acid tert-butyl estertert-Butyl 2-(bromomethyl)prop-2-enoate,98% (stabilized with MEHQ)

tert-butyl 2-bromomethylacrylateDTXSID10449683AEZPDFMFNUKVCF-UHFFFAOYSA-NAS-93799SY387933F75212EN300-1697608F867832

데이터베이스 식별자

CAS: 53913-96-5
PubChem CID: 10955115
DTXSID: DTXSID10449683
EC Number: 895-616-7
Nikkaji: J1.079.474I

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 167

물리화학적 성질

저장 조건: 2 · 2-8°C, stored under nitrogen
InChI: InChI=1S/C8H13BrO2/c1-6(5-9)7(10)11-8(2,3)4/h1,5H2,2-4H3
InChIKey: AEZPDFMFNUKVCF-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)C(CBr)=C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.