Triphenylphosphine dibromide

HCID 70579CAS 1034-39-5

기본 정보

표준 SMILES: BrP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: OCXGTPDKNBIOTF-UHFFFAOYSA-N
분자식: C18H15Br2P
평균 분자량: 422.1 g/mol
단동위원소 질량: 419.92781131

이름 및 식별자

우선 이름: Triphenylphosphine dibromide
IUPAC: dibromo(triphenyl)-λ5-phosphane
영어명: TRIPHENYLPHOSPHINE DIBROMIDE
분자식: C18H15Br2P
분자량: 422.09

이름 및 동의어

Triphenylphosphine dibromide1034-39-5DibromotriphenylphosphoraneTriphenyldibromophosphoranePhosphorane, dibromotriphenyl-Triphenylphosphonium dibromide7Y0J6R63JDEINECS 213-855-1NSC 87871NSC-87871DTXSID3061423TRIPHENYLPHOSPHINE DIBROMIDE [MI]

이름 더 보기

SKL183phosphine dibromidedibromo(triphenyl)-dibromotriphenyl-phosphoranDIBROMO TRIPHENYL PHOSPHINETriphenylphosphane dibromide

RefChem:900015DTXCID6032803213-855-1dibromo(triphenyl)-lambda5-phosphaneMFCD00000054C18H15Br2PUNII-7Y0J6R63JDBromotriphenylphosphonium bromide

데이터베이스 식별자

CAS: 1034-39-5
PubChem CID: 70579
DTXSID: DTXSID3061423
UNII: 7Y0J6R63JD
EC Number: 213-855-1
Nikkaji: J80.055D

물성

구조 계산 물성

XLogP: 6.5
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 3
무거운 원자 수: 21
형식 전하: 0
복잡도: 285

물리화학적 성질

녹는점: 235 °C · 235 °C (dec.) (lit.)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 결정성 분말
색상: 연한 노란색에서 연한 분홍색까지
수용성: Soluble in water, dichloromethane, acetonitrile, phenyl cyanide, dimethyl formamide, ether, chloroform, alcohol, carbon tetrachloride, acetic acid and carbon disulfide. Sparingly soluble in phenyl chloride, triphenylphosphine and phenyl hydride. Insoluble in aqueous bromine.
BRN: 917652 · 917652
InChI: InChI=1S/C18H15Br2P/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey: OCXGTPDKNBIOTF-UHFFFAOYSA-N
SMILES: P(Br)(Br)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
EPA: Phosphorane, dibromotriphenyl- (1034-39-5)

화학적 성질

light yellow to light pink 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, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPhosphorane, dibromotriphenyl-: Does not have an individual approval but may be used under an appropriate group standard

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

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
HS 번호: 29319019
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 3-10-21
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationPhosphorane, dibromotriphenyl-: ACTIVE

응용 분야 · 1건

용도Triphenylphosphine dibromide is used as a reagent for conversion of aldoximes into nitriles. It acts as a reagent for cleavage of acetals. It reacts with amines to give iminophosphoranes. Further, it serves as a reagent in the preparation of alkyl and aryl bromides from alcohols and phenols without rearrangement.