CAS 84654-29-5 Ethyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate (HCID 13124955)

기본 정보

CAS: 84654-29-5
표준 SMILES: CCOC(=O)c1cc(CBr)on1
InChIKey: WGYWHPXMHCTBIS-UHFFFAOYSA-N
분자식: C7H8BrNO3
평균 분자량: 234.05 g/mol
단동위원소 질량: 232.96875522

이름 및 식별자

우선 이름: Ethyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate
IUPAC: ethyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate
현지명: 에틸5-(브로모메틸)이속사졸-3-카르복실레이트
영어명: Ethyl 5-(bromomethyl)isoxazole-3-carboxylate
분자식: C7H8BrNO3
분자량: 234.05

이름 및 동의어

84654-29-5ETHYL 5-(BROMOMETHYL)-1,2-OXAZOLE-3-CARBOXYLATEDTXSID50519834RefChem:344179DTXCID20470640959-203-6ethyl 5-(bromomethyl)isoxazole-3-carboxylateMFCD082349603-Isoxazolecarboxylicacid, 5-(bromomethyl)-, ethyl esterSCHEMBL892010WGYWHPXMHCTBIS-UHFFFAOYSA-NJDA65429

이름 더 보기

에틸5-(브로모메틸)이속사졸-3-카르복실레이트5-bromomethylisoxazole-3-carboxylic acid ethyl ester3-Isoxazolecarboxylic acid, 5-(bromomethyl)-, ethyl ester

SY166392DB-370570ethyl5-(bromomethyl)isoxazole-3-carboxylateEN300-192519A1-09821ETHYL-5-(BROMOMETHYL)ISOXAZOLE-3-CARBOXYLATE

데이터베이스 식별자

CAS: 84654-29-5
PubChem CID: 13124955
DTXSID: DTXSID50519834
EC Number: 959-203-6

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 52.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 165

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.