CAS 81090-53-1 4,4'-Dibromotriphenylamine (HCID 13594707)

기본 정보

CAS: 81090-53-1
표준 SMILES: Brc1ccc(N(c2ccccc2)c2ccc(Br)cc2)cc1
InChIKey: KIGVOJUDEQXKII-UHFFFAOYSA-N
분자식: C18H13Br2N
평균 분자량: 403.1 g/mol
단동위원소 질량: 400.94147362

이름 및 식별자

우선 이름: 4,4'-Dibromotriphenylamine
IUPAC: 4-bromo-N-(4-bromophenyl)-N-phenylaniline
현지명: 4,4'-디브로모트리페닐아민
영어명: 4,4'-Dibromotriphenylamine
분자식: C18H13Br2N
분자량: 403.11

이름 및 동의어

4,4'-DibromotriphenylamineRefChem:506624626-530-881090-53-14-Bromo-N-(4-bromophenyl)-N-phenylanilineMFCD00060104Dibromotriphenylamine4-bromo-N-(4-bromophenyl)-N-phenylBenzenamineAKOS015901922D56034,4'-Dibromotriphenylamine (purified by sublimation)4,4-Dibromotriphenylamine

이름 더 보기

4,4'-디브로모트리페닐아민DBTPAK00644,4-dibromotrisamine4,4-Dibromotrianiline-DIBROMOTRIPHENYLAMINEBis(4-bromophenyl)phenyla

4,4'-Dibromo-triphenylamineC18H13Br2NN,N-Bis(p-bromophenyl)aniline4,4''-Dibromotriphenylamine4,4\'-DibromotriphenylamineBenzenamine, 4-bromo-N-(4-bromophenyl)-N-phenyl-SCHEMBL6808154,4 inverted exclamation mark -Dibromotriphenylamine

데이터베이스 식별자

CAS: 81090-53-1
PubChem CID: 13594707
DTXSID: DTXSID50544606
EC Number: 626-530-8
Nikkaji: J208.439B

물성

구조 계산 물성

XLogP: 7.1
극성 표면적: 3.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 21
형식 전하: 0
복잡도: 278

물리화학적 성질

녹는점: 69 °C · 69°C
끓는 점: 470.7 · 470.7±30.0 °C(Predicted)
밀도: 1.593 · 1.593
인화점: 110 °C · 110 °C
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): -4.29 · -4.29±0.50(Predicted)
물리적 상태: 고체
색상: 회백색
InChI: InChI=1S/C18H13Br2N/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H
InChIKey: KIGVOJUDEQXKII-UHFFFAOYSA-N
SMILES: C1(N(C2=CC=C(Br)C=C2)C2=CC=CC=C2)=CC=C(Br)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

안전 데이터

wgk: 3
HS 번호: 29214990
risk_code: 36/37/38-43-22
hazard_code: Xn
safety_code: 26-36/37/39-36/37
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 12 - Non Combustible Liquids

화학 및 산업

응용 분야

개요4,4′-Dibromotriphenylamine is a brominated derivative of aniline, a primary aromatic amine. It is a synthetic reagent for proteomics research. It is also employed as a starting material in the synthesis of various compounds.

용도Polytriarylamine Semiconductors

상·하류 제품 정보

상류 원료

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

BAYNOE CHEM CO.,LTD+86-21-34783353 +8615000719740 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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