2-Bromo-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-one

HCID 14913650CAS 103788-62-1

기본 정보

표준 SMILES: Cc1oc(-c2ccccc2)nc1C(=O)CBr
InChIKey: RSBWHTQEZHZARK-UHFFFAOYSA-N
분자식: C12H10BrNO2
평균 분자량: 280.12 g/mol
단동위원소 질량: 278.98949

이름 및 식별자

우선 이름: 2-Bromo-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-one
IUPAC: 2-bromo-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
영어명: 2-broMo-1-(5-Methyl-2-phenyloxazol-4-yl)ethanone
분자식: C12H10BrNO2
분자량: 280.12

이름 및 동의어

103788-62-12-bromo-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-oneRefChem:465989869-552-52-bromo-1-(5-methyl-2-phenyloxazol-4-yl)ethanone2-bromo-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone2-Bromo-1-(5-methyl-2-phenyloxazol-4-yl)ethan-1-one2-phenyl-4-bromoacetyl-5-methyloxazoleSCHEMBL3093844RSBWHTQEZHZARK-UHFFFAOYSA-N4-bromoacetyl-5-methyl-2-phenyloxazoleD78790

이름 더 보기

Ethanone, 2-bromo-1-(5-methyl-2-phenyl-4-oxazolyl)-

EN300-117452322-bromo-1-(5-methyl-2-phenyl-oxazol-4-yl)-ethanone4-(2-bromo-1-oxoethyl)-5-methyl-2-phenyl-1,3-oxazole

데이터베이스 식별자

CAS: 103788-62-1
PubChem CID: 14913650
EC Number: 869-552-5

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 43.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 253

물리화학적 성질

물리적 상태: solid
InChI: 1S/C12H10BrNO2/c1-8-11(10(15)7-13)14-12(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey: RSBWHTQEZHZARK-UHFFFAOYSA-N

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.