Methyl 4'-(bromomethyl)biphenyl-2-carboxylate

HCID 11012181

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 114772-38-2
표준 SMILES: COC(=O)c1ccccc1-c1ccc(CBr)cc1
InChIKey: RMXGTMRDXKUUDJ-UHFFFAOYSA-N
분자식: C15H13BrO2
평균 분자량: 305.17 g/mol
단동위원소 질량: 304.00989176

이름 및 식별자

우선 이름: Methyl 4'-(bromomethyl)biphenyl-2-carboxylate
IUPAC: methyl 2-[4-(bromomethyl)phenyl]benzoate
영어명: Methyl 2-[4-(bromomethyl)phenyl]benzoate
분자식: C15H13BrO2
분자량: 305.17

이름 및 동의어

Methyl 4'-(Bromomethyl)biphenyl-2-carboxylateRefChem:815652601-325-6114772-38-2Methyl 2-[4-(bromomethyl)phenyl]benzoateMethyl 4'-bromomethyl biphenyl-2-carboxylateMETHYL 4'-(BROMOMETHYL)-[1,1'-BIPHENYL]-2-CARBOXYLATEMFCD06200816Methyl 4'-bromomethyl-biphenyl-2-carboxylate[1,1'-BIPHENYL]-2-CARBOXYLIC ACID, 4'-(BROMOMETHYL)-, METHYL ESTER4'-Bromomethylbiphenyl-2-carboxylic Acid, Methyl EsterTelmisartan Bromo Methyl Ester

이름 더 보기

METHYL-4-(BROMOMETHYL)-BIPHENYL-2-CARBOXYLATETelmisartan Impurity ITelmisartan Impurity 16Telmisartan Related Compound4 '- methyl -2- methyl formateMethyl α-bromo-2-(p-tolyl)benzoate4-BROMOMETHYLBIPHENYL-2-CARBONYLATE

4'-bromomethylbiphenyl-2-carboxylic acid methyl esterMethyl 2-(4'-Bromomethylphenyl)benzoateMethyl 4/'-bromomethylbiphenyl-2-carboxylateMethyl 2-(4-(bromomethyl)phenyl)benzoateMethyl 4'-(bromomethyl)[1,1'-biphenyl]-2-carboxylateMethyl 4'-bromomethylbiphenyl-2-carboxylateMethyl 4'-bromomethyl-2-biphenylcarboxylatemethyl 4'-(bromomethyl)-(1,1'-biphenyl)-2-carboxylate

데이터베이스 식별자

CAS: 114772-38-2
PubChem CID: 11012181
DTXSID: DTXSID70921490
UNII: WA6MN7B9EQ
EC Number: 601-325-6
Nikkaji: J2.649.802C

물성

구조 계산 물성

XLogP: 4.6
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 272

물리화학적 성질

녹는점: 56 °C · 56 °C
끓는 점: 412.8 · 412.8±38.0 °C(Predicted)
밀도: 1.374 · 1.374±0.06 g/cm3(Predicted)
증기압: 0.001 · 0.001-0.002Pa at 20-25℃
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 톨루엔에 용해됨
물리적 상태: 가루
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C15H13BrO2/c1-18-15(17)14-5-3-2-4-13(14)12-8-6-11(10-16)7-9-12/h2-9H,10H2,1H3
InChIKey: RMXGTMRDXKUUDJ-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(CBr)C=C2)=CC=CC=C1C(OC)=O

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Warning

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.