Basic information
- CAS
12223-23-3- Standard SMILES
CC(=O)OCCN(CCC#N)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1- InChIKey
ROPYWXVRNREIQD-UHFFFAOYSA-N- Molecular formula
- C19H17Cl2N5O4
- Average molar mass
- 450.3 g/mol
- Monoisotopic mass
- 449.06575938
Names & identifiers
- Preferred name
- 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
- English name
- Disperse Orange 30
- Molecular formula
- C19H17Cl2N5O4
- Molecular weight
- 450.28
Names & synonyms
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
Show more names
Disperse Orange 30Disperse Orange 2RLYellow Brown S2RFL
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 645
Physicochemical properties
- 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 DataBase Reference
- 12223 · 12223-23-3(CAS DataBase Reference)
- EPA Substance Registry System
- 3 · Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[( 2,6-dichloro-4-nitrophenyl) azo]phenyl]amino]-(12223-23-3)
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
Safety & regulation
GHS classification
GHS Classification
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)
Hazard information
Regulatory Information
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%)
Safety data
- Hazard statements
- H412
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]amino]-: ACTIVE
Applications
UsesDisperse Orange 30 is used for dyeing polyester, blended and acetate fabrics, as well as for dyeing nylon, and can also be used for direct printing on pure polyester and polyester/cotton fabrics.
Preparation methods
Preparation2,6-Dichioro-4-nitroaniline diazo, and 2-((2-Cyanoethyl)(phenyl)amino)ethyl acetate;N-(2-cyanoethyl)-N-(2-acetoxyethyl)benzeneaminecoupling.
Upstream & downstream products
Downstream products
Suppliers11 total
杭州景优化工有限公司87211835 13957193240 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
四川省维克奇生物科技有限公司18108052721 17743264324 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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