Basic information
- CAS
158707-49-4- Standard SMILES
COc1cc(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1N(CCOC(C)=O)CCOC(C)=O- InChIKey
JSRUDOBCTLPTFO-UHFFFAOYSA-N- Molecular formula
- C23H25BrN6O10
- Average molar mass
- 625.4 g/mol
- Monoisotopic mass
- 624.08155
Names & identifiers
- Preferred name
- Disperse Blue 79:1
- IUPAC
- 2-[5-acetamido-N-(2-acetyloxyethyl)-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]ethyl acetate
- English name
- Disperse Blue 79:1
- Molecular formula
- C23H25BrN6O10
- Molecular weight
- 625.38
Names & synonyms
3618-72-2DISPERSE BLUE 79:1RefChem:200688C.I. Disperse Blue 79:1Disperse Blue Black 792-[5-acetamido-N-(2-acetyloxyethyl)-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]ethyl acetate3-(2,4-Dinitro-6-bromophenylazo)-4-acetamido-6-(N,N-bis(acetoxyethyl)amino)anisole4-(6-Bromo-2,4-dinitrophenylazo)-3-acetylamino-6-methoxy-N-bis(acetoxyethyl)aniline7S69658NN7Acetamide, N-(5-(bis(2-(acetyloxy)ethyl)amino)-2-((2-bromo-4,6-dinitrophenyl)azo)-4-methoxyphenyl)-Benzeneamine, 5-acetamino-4-((2,4-dinitro-6-bromophenyl)azo)-2-methoxy-N,N-bis((2-acetoxy)ethyl)-2,2'-((5-Acetamido-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)imino)diethyl diacetate
Show more names
C.I. 11344Nawy GRL-CC.I.DISPERSEBLUE79:1Disperse blue 79:1 (C.I. 11344)5'-[Bis(2-acetoxyethyl)amino]-2'-[(2-bromo-4,6-dinitrophenyl)azo]-4'-methoxyacetanilide5'-[N,N-Bis(2-acetoxyethyl)amino]-2'-(2-bromo-4,6-dinitrophenylazo)-4'-methoxyacetanilide
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 924
Experimental & physicochemical properties
LogP4.44
Physicochemical properties
- Melting point
- 149 · 149-151 °C
- Boiling point
- 796.7 · 796.7±60.0 °C(Predicted)
- Density
- 1.55 · 1.55
- pka
- 13.49 · 13.49±0.70(Predicted)
- LogP
- 1.63 at · 1.63 at 20℃
- FDA UNII
- 7 S69658NN7 · 7S69658NN7
- EPA Substance Registry System
- 79 · C.I. Disperse Blue 79:1 (3618-72-2)
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 75.7% (28 of 37) of all reports.
H412 (24.3%): 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 37 reports by companies from 4 notifications to the ECHA C&L Inventory.
Not Classified
Not Classified
Hazard information
Regulatory Information
Chemical: Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-
Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2,2'-[[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]imino]diethyl diacetate (EC: 222-813-1)
Acetamide, N-5-bis2-(acetyloxy)ethylamino-2-(2-bromo-4,6-dinitrophenyl)azo-4-methoxyphenyl-: 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 - Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-: Human health tier I assessment
Hazard Classes and Categories
Aquatic Chronic 3 (24.3%)
Not Classified
Chemistry & industry
Uses & manufacturing
U.S. Production2022: 33,810 lb
Industry UsesDye
General Manufacturing Information
Textiles, apparel, and leather manufacturing
Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers8 total
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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