2-Bromo-1,2-diphenylethan-1-one

HCID 102630CAS 1484-50-0

기본 정보

표준 SMILES: O=C(c1ccccc1)C(Br)c1ccccc1
InChIKey: ZFFBIQMNKOJDJE-UHFFFAOYSA-N
분자식: C14H11BrO
평균 분자량: 275.14 g/mol
단동위원소 질량: 273.99932707

이름 및 식별자

우선 이름: 2-Bromo-1,2-diphenylethan-1-one
IUPAC: 2-bromo-1,2-diphenylethanone
영어명: 2-Bromo-2-phenylacetophenone
분자식: C14H11BrO
분자량: 275.14

이름 및 동의어

Desyl bromide2-Bromo-1,2-diphenylethanoneEthanone, 2-bromo-1,2-diphenyl-2-Bromo-1,2-diphenylethan-1-oneEINECS 216-057-1DTXSID308836812Bromo2phenylacetophenoneRefChem:465779Ethanone, 2bromo1,2diphenylDTXCID401023186216-057-12-Bromo-2-phenylacetophenone

이름 더 보기

Desyl bromide 97%AKOS BBS-00000845α-BromodeoxybenzoinA-BROMODESOXY BENZOIN2-bromo-1,2-diphenyl-ethanonPhenyl(α-bromobenzyl) ketone

1484-50-0MFCD000001362-bromo-1,2-diphenyl-ethanonealpha-BromodeoxybenzoindesylbromideDesyl bromide, 97%alpha-bromodesoxibenzoineSCHEMBL627867

데이터베이스 식별자

CAS: 1484-50-0
PubChem CID: 102630
DTXSID: DTXSID30883681
EC Number: 216-057-1
Nikkaji: J206.691B

물성

구조 계산 물성

XLogP: 3.6
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: 227

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aromatic Ketones, Halogenated

Physical DescriptionOff-white powder; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 56 · 56-58 °C (lit.)
끓는 점: 344.8 · 344.8±22.0 °C(Predicted)
밀도: 1.393 · 1.3930 (rough estimate)
굴절률: 1.513 · 1.5130 (estimate)
저장 조건: 0 · 0-6°C
용해도: 톨루엔에 용해됨
물리적 상태: 결정성 분말
색상: 베이지 브라운
InChI: 1S/C14H11BrO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H
InChIKey: ZFFBIQMNKOJDJE-UHFFFAOYSA-N
SMILES: BrC(c1ccccc1)C(=O)c2ccccc2
EPA: 2 · Ethanone, 2-bromo-1,2-diphenyl- (1484-50-0)

화학적 성질

BEIGE-BROWN CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]

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

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 1759
HS 번호: 29147000
risk_code: 34-36/37
hazard_code: C
safety_code: 28A-26-45-36/37/39-28-27
포장분류: III
위험 등급: 8
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanone, 2-bromo-1,2-diphenyl-: INACTIVE

응용 분야

용도Desyl bromide has been used in:synthesis of phosphate esters of benzoin and benzoinyl N-carbobenzyloxyglycylphenylalanatenovel chemiluminogenic reaction for the sensitive determination of Arg-containing peptides

일반 설명Reaction of cesium N-carbobenzyloxyglycylphenylalanate with desyl bromide in DMF has been investigated.