5-(브로모아세틸)-3-페닐리속사졸

5-(Bromoacetyl)-3-phenylisoxazole

HCID 2735532

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 14731-14-7
표준 SMILES: O=C(CBr)c1cc(-c2ccccc2)no1
InChIKey: XTBXGZOVSCTNEC-UHFFFAOYSA-N
분자식: C11H8BrNO2
평균 분자량: 266.09 g/mol
단동위원소 질량: 264.97384

이름 및 식별자

우선 이름: 5-(Bromoacetyl)-3-phenylisoxazole
IUPAC: 2-bromo-1-(3-phenyl-1,2-oxazol-5-yl)ethanone
현지명: 5-(브로모아세틸)-3-페닐리속사졸
영어명: 5-(Bromoacetyl)-3-phenylisoxazole
분자식: C11H8BrNO2
분자량: 266.09

이름 및 동의어

5-(Bromoacetyl)-3-phenylisoxazole14731-14-7DTXSID60370776RefChem:300251DTXCID703218102-bromo-1-(3-phenylisoxazol-5-yl)ethan-1-one2-Bromo-1-(3-phenylisoxazol-5-yl)ethanone2-bromo-1-(3-phenyl-1,2-oxazol-5-yl)ethanone2-Bromo-1-(3-Phenyl-1,2-Oxazol-5-Yl)Ethan-1-OneMFCD00173898Ethanone, 2-bromo-1-(3-phenyl-5-isoxazolyl)-2-Bromo-1-(3-phenyl-isoxazol-5-yl)-ethanone

이름 더 보기

5-(브로모아세틸)-3-페닐리속사졸BUTTPARK 43\57-72TIMTEC-BB SBB0055905-Bromoacetyl-2-phenylisoxazole5-(Bromoacetyl)-3-phenylisoxazole 95%5-(BROMOACETYL)-3-PHENYLISOXAZOLE, 95+%2-Bromo-1-(3-phenylisoxazol-5-yl)ethan-1-one, 95+%

5-bromoacetyl-3-phenylisoxazoleSCHEMBL1435521CHEMBL5290177XTBXGZOVSCTNEC-UHFFFAOYSA-NPAA73114SBB005590AKOS005203413DB-042879

데이터베이스 식별자

CAS: 14731-14-7
PubChem CID: 2735532
DTXSID: DTXSID60370776
ChEMBL: CHEMBL5290177
EC Number: 672-866-3

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 43.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 229

물리화학적 성질

녹는점: 109 °C · 109 °C
끓는 점: 416.8 · 416.8±35.0 °C(Predicted)
밀도: 1.516 · 1.516±0.06 g/cm3(Predicted)
산도 계수 (pKa): -4.87 · -4.87±0.50(Predicted)
물리적 상태: 결정성 분말
색상: 연노랑

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.