4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline

HCID 82084CAS 7612-98-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN(C)c1ccc(N=Nc2ccc(N=C=S)cc2)cc1
InChIKey: OSWZKAVBSQAVFI-UHFFFAOYSA-N
분자식: C15H14N4S
평균 분자량: 282.4 g/mol
단동위원소 질량: 282.09391745

개요

See also: 4-(Dimethylamino) azobenzyl-4-isothiocyanate (annotation moved to) ... View More ...

이름 및 식별자

우선 이름: 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline
IUPAC: 4-[(4-isothiocyanatophenyl)diazenyl]-N,N-dimethylaniline
영어명: 4-(N,N-Dimethylamino)azobenzene-4'-isothiocyanate
분자식: C15H14N4S
분자량: 282.36

이름 및 동의어

4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline4-[(4-isothiocyanatophenyl)azo]-N,N-dimethylanilineRefChem:509509231-521-37612-98-8DABITC4-(N,N-Dimethylamino)azobenzene-4'-isothiocyanate4-(4-Isothiocyanatophenylazo)-N,N-dimethylanilineMFCD000048124-((4-Isothiocyanatophenyl)diazenyl)-N,N-dimethylaniline4-(Dimethylamino)azobenzene 4'-Isothiocyanate4-[(4-isothiocyanatophenyl)diazenyl]-N,N-dimethylaniline

이름 더 보기

4-((4-ISOTHIOCYANATOPHENYL)AZO)-N N- &4-DIMETHYLAMINOAZOBENZENE 4'-ISOTHIOCYANATE4-(Dimethylamino)-4'-isothiocyanatoazobenzene4-N,N-DIMETHYLAMINOAZOBENZENE-4-ISOTHIOCYANATE4-(N,N-Dimethylamino)azobenzene-4'-isothiocyateN,N-Dimethyl-4'-isothiocyanatoazobenzene-4-amine4-(Dimethylamino)azobenzene 4'-Isothiocyanate >

4-Dimethylaminoazobenzene-4'-isothiocyanate4-(N,N-DIMETHYLAMINO)AZOBENZENE-4-ISOTHIOCYANATE(E)-4-((4-isothiocyanatophenyl)diazenyl)-N,N-dimethylanilineEINECS 231-521-34-(Dimethylamino)azobenzene-4'-isothiocyanate4-(N,N-Dimethylaminoazobenzene)-4'-isothiocyanateSCHEMBL671704orb2567223

데이터베이스 식별자

CAS: 7612-98-8
PubChem CID: 82084
DTXSID: DTXSID201039777
EC Number: 231-521-3
Nikkaji: J208.389B

물성

구조 계산 물성

XLogP: 5.7
극성 표면적: 72.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 20
형식 전하: 0
복잡도: 360

물리화학적 성질

녹는점: 167 · 167-171 °C(lit.)
끓는 점: 466.2 · 466.2±30.0 °C(Predicted)
밀도: 1.2493 · 1.2493 (rough estimate)
굴절률: 1.57 · 1.5700 (estimate)
저장 조건: room temp
용해도: 20 mg/mL, · 디옥산: 20 mg/mL, 투명, 빨간색
산도 계수 (pKa): 3.28 · 3.28±0.10(Predicted)
물리적 상태: powder to crystal
색상: 주황색에서 갈색으로
BRN: 752568 · 752568
주요 응용: 진단 검사 제조혈액학조직학
InChI: 1S/C15H14N4S/c1-19(2)15-9-7-14(8-10-15)18-17-13-5-3-12(4-6-13)16-11-20/h3-10H,1-2H3/b18-17+
InChIKey: OSWZKAVBSQAVFI-ISLYRVAYSA-N
SMILES: CN(C)c1ccc(cc1)\N=N\c2ccc(cc2)N=C=S

화학적 성질

Rust crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 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 CategoriesSkin Irrit. 2 (11.4%)

안전 데이터

wgk: 3
rtecs: NX9125000
ridadr: 3234
HS 번호: 29309090
risk_code: 42
hazard_code: Xn
safety_code: 22-24/25
위험 등급: IRRITANT
F 고인화성물질: 10-21
Hazard Classifications: Resp. Sens. 1Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-(4-Isothiocyanatophenylazo)-N,N-dimethylaniline is a stain/dye. Dyes and metabolites.

공급사47 곳

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

北京华美互利生物化工010-56205725 · [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]

上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]

연결된 노트

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