1-(1,1'-Biphenyl)-4-yl-2-bromoethanone

HCID 67282

기본 정보

CAS: 135-73-9
표준 SMILES: O=C(CBr)c1ccc(-c2ccccc2)cc1
InChIKey: KGHGZRVXCKCJGX-UHFFFAOYSA-N
분자식: C14H11BrO
평균 분자량: 275.14 g/mol
단동위원소 질량: 273.99932707

개요

cpd is used to make anti-infective & anti-inflammatory agents by reaction with pyridazine cpds; structure given in first source

이름 및 식별자

우선 이름: 1-(1,1'-Biphenyl)-4-yl-2-bromoethanone
IUPAC: 2-bromo-1-(4-phenylphenyl)ethanone
영어명: 2-Bromo-4'-phenylacetophenone
분자식: C14H11BrO
분자량: 275.14

이름 및 동의어

2-Bromo-4'-phenylacetophenone135-73-94-Phenylphenacyl bromidep-Phenylphenacyl bromideBromomethyl p-biphenylyl ketoneAcetophenone, 2-bromo-4'-phenyl-Ethanone, 1-[1,1'-biphenyl]-4-yl-2-bromo-XRZ97JC5PSEthanone, 1-(1,1'-biphenyl)-4-yl-2-bromo-NSC-37117DTXSID50596601-(1,1'-BIPHENYL)-4-YL-2-BROMOETHANONE

이름 더 보기

AKOS BBS-00004047TIMTEC-BB SBB0010974-BROMOACETYLBIPHENYLPHENYLPHENACYL BROMIDE4'-PHENYLPHENACYL BROMIDEA-BROMO-4-PHENYLACETOPHENONEω-bromo-4-phenylacetophenone

RefChem:526438DTXCID8034293205-217-6p-Bromoacetylbiphenyl2-bromo-1-(4-phenylphenyl)ethanone2-Bromo-1-(4-Phenylphenyl)Ethan-1-Onealpha-Bromo-p-phenylacetophenone1-([1,1'-Biphenyl]-4-yl)-2-bromoethanone

데이터베이스 식별자

CAS: 135-73-9
PubChem CID: 67282
DTXSID: DTXSID5059660
ChEMBL: CHEMBL413032
UNII: XRZ97JC5PS
EC Number: 205-217-6
Nikkaji: J5.615D

물성

구조 계산 물성

XLogP: 4.6
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 225

실험 및 물리화학적 성질

PolymersOther Classes -> Halogenated Polyaromatics

SpringerMaterials PropertiesChemical structure

Physical DescriptionPowder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 123 · 123-125 °C(lit.)
끓는 점: 370 · 370.0±17.0 °C(Predicted)
밀도: 1.393 · 1.3930 (rough estimate)
굴절률: 1.513 · 1.5130 (estimate)
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 가루
색상: 노란색에서 베이지색 갈색
BRN: 513838 · 513838
InChI: 1S/C14H11BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2
InChIKey: KGHGZRVXCKCJGX-UHFFFAOYSA-N
SMILES: BrCC(=O)c1ccc(cc1)-c2ccccc2
EPA: 1 · Ethanone, 1-[1,1'-biphenyl]-4-yl-2-bromo- (135-73-9)

화학적 성질

YELLOWISH TO BEIGE-BROWN POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information2-Bromo-4'-phenylacetophenone: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Biphenyl.

Hazard Classes and CategoriesSkin Corr. 1C (100%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
HS 번호: 29147000
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
F 고인화성물질: 8-19
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

UsesUsed to make anti-infective and anti-inflammatory agents; [ChemIDplus]

General Manufacturing InformationEthanone, 1-[1,1'-biphenyl]-4-yl-2-bromo-: INACTIVE

상·하류 제품 정보

하류 제품

4-(4-Biphenylyl)-2-(4-pyridyl)thiazole, 97%4-([1,1'-biphenyl]-4-yl)-N-(6-methylpyridin-2-yl)thiazol-2-amine

공급사72 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]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

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