5-(4-브로모-페닐)-3-메틸-이속사졸-4-카르복실산

5-(4-Bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid

HCID 56604559

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 91182-60-4
표준 SMILES: Cc1noc(-c2ccc(Br)cc2)c1C(=O)O
InChIKey: GFLKZFOUAHOGJF-UHFFFAOYSA-N
분자식: C11H8BrNO3
평균 분자량: 282.09 g/mol
단동위원소 질량: 280.96875522

이름 및 식별자

우선 이름: 5-(4-Bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
IUPAC: 5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
현지명: 5-(4-브로모-페닐)-3-메틸-이속사졸-4-카르복실산
영어명: 5-(4-Bromo-phenyl)-3-methyl-isoxazole-4-carboxylic acid
분자식: C11H8BrNO3
분자량: 282.09

이름 및 동의어

91182-60-45-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acidDTXSID80717826RefChem:299819DTXCID906685725-(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid5-(4-Bromo-phenyl)-3-methyl-isoxazole-4-carboxylic acidMFCD164470834-Isoxazolecarboxylic acid, 5-(4-bromophenyl)-3-methyl-5-(4-bromophenyl)-3-methyl-4-Isoxazolecarboxylic acidSCHEMBL15635-(4-Bromophenyl)-3-methylisoxazole-4-carboxylicacid

이름 더 보기

5-(4-브로모-페닐)-3-메틸-이속사졸-4-카르복실산5-(4-Br-Ph)-3-Me-isoxazole-4-carboxylic acid5-(p-Bromophenyl)-3-methyl-4-isoxazolecarboxylic acid

GFLKZFOUAHOGJF-UHFFFAOYSA-NCS-M1999EOS-60371AKOS015835662AS-5270SB18059SY066129DB-023591

데이터베이스 식별자

CAS: 91182-60-4
PubChem CID: 56604559
DTXSID: DTXSID80717826
EC Number: 804-364-9

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 266

물리화학적 성질

끓는 점: 409 ℃ · 409℃
밀도: 1.605 · 1.605
인화점: 201 ℃ · 201℃
저장 조건: Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

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

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.