Methyl 2-bromobenzoate

Pramipexol 65 · Methyl2-obenzoate · RARECHEM AL BF 0014 · Methyl 2-broMobenzo · Methyl o-broMophenyl · Methyl 2-bromobenzoa · METHYL O-BROMOBENZOATE · METHYL 2-BROMOBENZOATE

https://huagongshe.com/ko/chemical/11894

식별자 및 물리적 특성

CAS No.	610-94-6
분자식	C8H7BrO2
평균 분자량	215.04 g/mol
단동위원소 질량	213.96294156 g/mol
SMILES	COC(=O)c1ccccc1Br
InChIKey	SWGQITQOBPXVRC-UHFFFAOYSA-N
PubChem CID	11894
EC No.	210-241-5
DTXSID	DTXSID2060593

화학 및 물리적 성질

XLogP	2.4
극성 표면적	26.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	11
형식 전하	0
복잡도	147
물질 분류	Other Classes -> Halogenated Esters
SpringerMaterials Properties	Diamagnetic susceptibility
증기압	0.02 [mmHg]
Physical Description	Colorless liquid[Alfa Aesar MSDS]
녹는점	252°C
끓는 점	252 °C (lit.)
밀도	1.532 g/mL at 25 °C (lit.)
굴절률	n20/D 1.559(lit.)
인화점	>230 °F
저장 조건	Sealed in dry,Room Temperature
물리적 상태	액체
비중	1.532
색상	맑은 연한 노란색
용해도	불용성
BRN	1862501
InChI	1S/C8H7BrO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3
InChIKey	SWGQITQOBPXVRC-UHFFFAOYSA-N
SMILES	COC(=O)c1ccccc1Br
NIST	Methyl-2-bromobenzoate(610-94-6)
EPA	Benzoic acid, 2-bromo-, methyl ester (610-94-6)

화학적 성질

CLEAR LIGHT YELLOW LIQUID

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Benzoic acid, 2-bromo-, methyl ester
기타 안전 정보	Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
유해성 요약	May cause irritation[Alfa Aesar MSDS]
Hazard Classes and Categories	Acute Tox. 4 (20%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	29163990
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	24/25
저장 분류	10 - Combustible liquids

용도

Methyl 2-bromobenzoate under Heck reaction with acrylonitrile results in lactonization to give the benzofuran-2-one 3-(cyanomethyl)-2-coumaranone. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals