Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-

HCID 78916CAS 12223-23-3

基本情報

標準SMILES: CC(=O)OCCN(CCC#N)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1
InChIKey: ROPYWXVRNREIQD-UHFFFAOYSA-N
分子式: C19H17Cl2N5O4
平均分子量: 450.3 g/mol
単同位体質量: 449.06575938

名称と識別子

優先名称: Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-
IUPAC: 2-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]anilino]ethyl acetate
英語名: Disperse Orange 30
分子式: C19H17Cl2N5O4
分子量: 450.28

名称と別名

12223-23-32-[N-(2-Cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]anilino]ethyl acetate2-(N-(2-Cyanoethyl)-4-((2,6-dichloro-4-nitrophenyl)azo)anilino)ethyl acetatePropanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]amino]-4-(2,6-Dichloro-4-nitrophenylazo)-N-(beta-acetoxyethyl)-N-(beta-cyanoethyl)anilineBenzenamine, N-(2-acetoxy)ethyl-N-(2-cyano)ethyl-4-(((2,6-dichloro-4-nitro)phenyl)azo)-Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-3-(4-((2,6-Dichloro-4-nitrophenyl)azo)-N-(2-hydroxyethyl)anilino)propionitrile, acetate (ester)Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(2,6-dichloro-4-nitrophenyl)diazenyl)phenyl)amino)-Benzenamine, N-(2-acetoxy)ethyl-N-(2-cyano)ethyl-4-[[(2,6-dichloro-4-nitro)phenyl]azo]-Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]amino]-RefChem:869016

名称をさらに表示

Disperse Orange 30Disperse Orange 2RLYellow Brown S2RFLDisperse Orange 3RFLDisperse Orange SE-GLDISPERSE ORANGE S-4RLC.I.Disperse Orange 89Disperse Orange S-2RFLDisperse Yellow Brown 2RFLEnvironment-friendlyDisperseOrange4RL

Propanenitrile, 3-2-(acetyloxy)ethyl4-(2,6-dichloro-4-nitrophenyl)azophenylamino-226-070-439328-03-550814-77-2602-303-973299-41-9841-501-1841-503-2

データベース識別子

CAS: 12223-23-3、39328-03-5、50814-77-2、5261-31-4、73299-41-9
PubChem CID: 78916
DTXSID: DTXSID4063745
EC Number: 226-070-4、602-303-9、841-501-1、841-503-2、841-516-3
Nikkaji: J93.931E

物性

構造計算による物性

XLogP: 4.5
極性表面積: 124 Å²
水素結合供与体数: 0
水素結合受容体数: 8
回転可能結合数: 9
重原子数: 30
形式電荷: 0
複雑度: 645

物理化学的性質

InChI: InChI=1S/C19H17Cl2N5O4/c1-13(27)30-10-9-25(8-2-7-22)15-5-3-14(4-6-15)23-24-19-17(20)11-16(26(28)29)12-18(19)21/h3-6,11-12H,2,8-10H2,1H3/b24-23+
InChIKey: ROPYWXVRNREIQD-WCWDXBQESA-N
SMILES: C1(C=CC(/N=N/C2=C(Cl)C=C([N+]([O-])=O)C=C2Cl)=CC=1)N(CCC#N)CCOC(=O)C
CAS データベース: 12223 · 12223-23-3(CAS DataBase Reference)
EPAの化学物質情報: 3 · Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[( 2,6-dichloro-4-nitrophenyl) azo]phenyl]amino]-(12223-23-3)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 27.1% (16 of 59) of reports.

H412 (57.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 59 reports by companies from 4 notifications to the ECHA C&L Inventory.

H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 4 件

Chemical: Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]amino]-

Hazard Traits - Bioaccumulation; Environmental Persistence

REACH registered substance: 2-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]anilino]ethyl acetate (EC: 226-070-4)

Propanenitrile, 3-2-(acetyloxy)ethyl4-(2,6-dichloro-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.

Other Safety InformationIMAP assessments - Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]amino]-: Human health tier I assessment

Hazard Classes and CategoriesAquatic Chronic 3 (57.6%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H412

化学と産業

用途と製造

General Manufacturing InformationPropanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]amino]-: ACTIVE

調製方法

製造方法2,6-Dichioro-4-nitroaniline diazo, and 2-((2-Cyanoethyl)(phenyl)amino)ethyl acetate;N-(2-cyanoethyl)-N-(2-acetoxyethyl)benzeneaminecoupling.

上流・下流製品情報

下流製品

Disperse Black S-3BL

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