2-Bromo-4'-(methylsulfonyl)acetophenone

HCID 735823CAS 50413-24-6

기본 정보

표준 SMILES: CS(=O)(=O)c1ccc(C(=O)CBr)cc1
InChIKey: JOCMYOUZIDSYFO-UHFFFAOYSA-N
분자식: C9H9BrO3S
평균 분자량: 277.14 g/mol
단동위원소 질량: 275.94557725

이름 및 식별자

우선 이름: 2-Bromo-4'-(methylsulfonyl)acetophenone
IUPAC: 2-bromo-1-(4-methylsulfonylphenyl)ethanone
영어명: 2-Bromo-1-[4-(methylsulfonyl)phenyl]-1-ethanone
분자식: C9H9BrO3S
분자량: 277.14

이름 및 동의어

2-Bromo-4'-(methylsulfonyl)acetophenoneRefChem:466356678-177-450413-24-62-bromo-1-(4-(methylsulfonyl)phenyl)ethanone2-Bromo-1-[4-(methylsulfonyl)phenyl]-1-ethanone2-bromo-1-(4-methylsulfonylphenyl)ethanoneEthanone, 2-bromo-1-[4-(methylsulfonyl)phenyl]-2-bromo-1-[4-(methylsulfonyl)phenyl]ethanone2-Bromo-1-(4-methanesulfonyl-phenyl)-ethanoneC9H9BrO3SMFCD00673134

이름 더 보기

2-Bromo-1-[4-(methylImrecoxib Impurity 24Imrecoxib Impurity 29Phenylephrine Impurity 1234-(Methylsulfonyl)phenacyl bromide4-(METHYLSULPHONYL)PHENACYL BROMIDE4-Methylsulfonyl-a-Bromoacetopyenone4-Methylsulfonyl-α-broMo acetophenone4-Methyl Sulfonyl-a-Bromo Acetophenone4-(Methylsulfonyl)-α-bromoacetophenone

2-bromo-1-(4-methanesulfonylphenyl)ethan-1-onep-methylsulfonylphenacyl bromideVBF9OCP8XOSCHEMBL1253502-bromo-1-(4-(methylsulfonyl)phenyl)ethan-1-one2-bromo-4'-(methylsulfonyl) acetophenoneCS-01865662-bromo-l-(4-(methylsulfonyl)phenyl)ethanone

데이터베이스 식별자

CAS: 50413-24-6
PubChem CID: 735823
DTXSID: DTXSID10352845
UNII: VBF9OCP8XO
EC Number: 678-177-4
Nikkaji: J1.081.174K

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 59.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 297

물리화학적 성질

녹는점: 126 °C · 126 °C
끓는 점: 428.4 · 428.4±41.0 °C(Predicted)
밀도: 1.575 · 1.575±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색

화학적 성질

Pale yellow crystalline powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

ridadr: 3261
HS 번호: 2914390090
risk_code: 34-36
hazard_code: C,Xi
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: IRRITANT
위험 참고 사항: Corrosive

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

3-(3,4-Difluorophenyl)-4-(4-(methylsulfonyl)phenyl)-2(5H)-furanone 3-(4-(Methylsulfonyl)phenyl)-3-oxopropanenitrile

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

安徽合诺生物科技有限公司0555-2761852

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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