Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)amino)-

HCID 80118CAS 6021-61-0

기본 정보

표준 SMILES: CC(=O)OCCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)cc1
InChIKey: XSTSGWJEOIPFED-UHFFFAOYSA-N
분자식: C19H18ClN5O4
평균 분자량: 415.8 g/mol
단동위원소 질량: 415.10473174

이름 및 식별자

우선 이름: Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)amino)-
IUPAC: 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]ethyl acetate
영어명: Disperse Red 54
분자식: C19H18ClN5O4
분자량: 415.83

이름 및 동의어

Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]-EINECS 227-876-92-(4-((2-Chloro-4-nitrophenyl)azo)-N-(2-cyanoethyl)anilino)ethyl acetate2-[4-[(2-CHLORO-4-NITROPHENYL)AZO]-N-(2-CYANOETHYL)ANILINO]ETHYL ACETATE4-((2-Chloro-4-nitrophenyl)azo)-N-(2-cyanoethyl)-N-(2-acetoxyethyl)aniline4-(2-Chloro-4-nitrophenylazo)-N-(beta-acetoxyethyl)-N-(beta-cyanoethyl)anilinePropanenitrile, 3-((2-(acetyloxy)ethyl)(4-((2-chloro-4-nitrophenyl)azo)phenyl)amino)-Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)amino)-Propanenitrile, 3-((2-acetoxyethyl)(4-((2-chloro-4-nitrophenyl)azo)phenyl)amino)-Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]amino]-RefChem:869020Propanenitrile, 3-2-(acetyloxy)ethyl4-(2-chloro-4-nitrophenyl)azophenylamino-

이름 더 보기

Disperse Red 54XSTSGWJEOIPFED-GHVJWSGMSA-NC.I.Disperse Red 54:C.I. 11131C.I. Disperse Red 54 press cakeDisperse Scarlet S-3GFL (C.I. Disperse Red 54)2-[4-[(2-chloro-4-nitrophenyl)azo]-N-(2-cyanoethyl)anilino]e...2'-Chloro-4'-nitro-4-[2-cyanoethyl(2-acetoxyethyl)amino]azobenzeneN-(2-Cyanoethyl)-N-(2-acetoxyethyl)-2'-chloro-4'-nitroazobenzene-4-amine

227-876-96021-61-02-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]ethyl acetatePROPANENITRILE,3-[[2-(ACETYLOXY)ETHYL][4-[(2-CHLORO-4-NITROPHENYL)AZO]PHENYL]AMINO]-orb2566423DTXSID6064084SCHEMBL12955662SCHEMBL29393827

데이터베이스 식별자

CAS: 6021-61-0
PubChem CID: 80118
DTXSID: DTXSID6064084
EC Number: 227-876-9
Nikkaji: J223.952C

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 124 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 9
무거운 원자 수: 29
형식 전하: 0
복잡도: 624

물리화학적 성질

끓는 점: 622.6 · 622.6±55.0 °C(Predicted)
밀도: 1.31 · 1.31±0.1 g/cm3(Predicted)
증기압: 0 Pa · 0Pa at 20℃
산도 계수 (pKa): 1.17 · 1.17±0.50(Predicted)
수용성: 94 μg/L · 94μg/L at 20℃
LogP: 4.03 at · 4.03 at 25℃
EPA: 3 · Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]- (6021-61-0)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (23 of 23) of all reports.

Not Classified

Aggregated GHS information provided per 23 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]-

REACH registered substance: 2-[4-[(2-chloro-4-nitrophenyl)azo]-N-(2-cyanoethyl)anilino]ethyl acetate (EC: 227-876-9)

Propanenitrile, 3-2-(acetyloxy)ethyl4-(2-chloro-4-nitrophenyl)azophenylamino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesNot Classified

안전 데이터

tsca: TSCA listed
기존화학 물질: KE-00138

화학 및 산업

용도 및 제조

General Manufacturing InformationPropanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]amino]-: ACTIVE

공급사8 곳

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]

Alfa Chemistry1-516-6625404 · [email protected]

XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

重庆卡兰医药有限公司[email protected]

연결된 노트

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