2-(Bromomethyl)acrylic acid ethyl ester

HCID 310620CAS 17435-72-2

기본 정보

표준 SMILES: C=C(CBr)C(=O)OCC
InChIKey: MTCMFVTVXAOHNQ-UHFFFAOYSA-N
분자식: C6H9BrO2
평균 분자량: 193.04 g/mol
단동위원소 질량: 191.97859

이름 및 식별자

우선 이름: 2-(Bromomethyl)acrylic acid ethyl ester
IUPAC: ethyl 2-(bromomethyl)prop-2-enoate
영어명: ETHYL 2-(BROMOMETHYL)ACRYLATE
분자식: C6H9BrO2
분자량: 193.04

이름 및 동의어

2-(Bromomethyl)acrylic Acid Ethyl EsterRefChem:460038628-033-1Ethyl 2-(bromomethyl)acrylate17435-72-2ethyl 2-(bromomethyl)prop-2-enoate2-Propenoic acid, 2-(bromomethyl)-, ethyl esterMFCD00031518ETHYL BROMOMETHACRYLATEethyl 2-bromomethyl-2-propenoateethyl alpha-(bromomethyl)acrylate2-Bromomethyl-acrylic acid ethyl ester

이름 더 보기

3-bromo-2-methyl-2-propenoic acid ethyl esterDK588NSC 215252DKFELEX01482-Carbethoxyallyl BromideEthyl2-(Bromomethyl)acrvlate

ethyl-2-bromomethylacrylateEthyl 2-bromomethylacrylate95% (stabilized with HQ)Ethyl2-(bromomethyl)acrylateethyl (2-bromomethyl)acrylateethyl-2-(bromomethyl)acrylateSCHEMBL377096ethyl 2-(bromomethyl)propenoate

데이터베이스 식별자

CAS: 17435-72-2
PubChem CID: 310620
DTXSID: DTXSID10309738
EC Number: 628-033-1
Nikkaji: J668.611G

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 120

물리화학적 성질

녹는점: 134 · 134-136℃
끓는 점: 38 °C/0.8 · 38 °C/0.8 mmHg (lit.)
밀도: 1.398 g/mL · 1.398 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.479(lit.)
인화점: 178 °F · 178 °F
저장 조건: -20 °C · -20°C
용해도: 클로로포름(적게), 에틸아세테이트(약간)에 용해됨
물리적 상태: 액체
색상: 무색~담황색
BRN: 970108 · 970108
InChI: InChI=1S/C6H9BrO2/c1-3-9-6(8)5(2)4-7/h2-4H2,1H3
InChIKey: MTCMFVTVXAOHNQ-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(CBr)=C

화학적 성질

Colourless Oil

안전 및 규제

안전 데이터

wgk: 3
ridadr: UN 2810 6.1 / PGII
HS 번호: 29161900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: 6.1
F 고인화성물질: 10-19-23
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

응용 분야

용도ETHYL 2-(BROMOMETHYL)ACRYLATE is an intermediate used for the synthesis of aza inhibitors of chorismate mutase.

일반 설명Ethyl 2-(bromomethyl)acrylate is an allylic alkylating reagent.

상·하류 제품 정보

상류 원료

하류 제품

2-(클로로메틸)아크릴산에틸에스테르

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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