Basic information
- CAS
2537-62-4- Standard SMILES
CCN(CC)c1ccc(N=Nc2c(Br)cc([N+](=O)[O-])cc2C#N)c(NC(C)=O)c1- InChIKey
KTXMBTRTVMMWQS-UHFFFAOYSA-N- Molecular formula
- C19H19BrN6O3
- Average molar mass
- 459.3 g/mol
- Monoisotopic mass
- 458.0702
Names & identifiers
- Preferred name
- Acetamide, N-[2-[2-(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]-
- IUPAC
- N-[2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide
- English name
- N-[2-[(2-bromo-6-cyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]acetamide
- Molecular formula
- C19H19BrN6O3
- Molecular weight
- 459.3
Names & synonyms
N-[2-[(2-BROMO-6-CYANO-4-NITROPHENYL)AZO]-5-(DIETHYLAMINO)PHENYL]ACETAMIDE85414-41-1EINECS 219-807-6Acetamide, N-[2-[(2-bromo-6-cyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]-N-(2-((2-Bromo-6-cyano-4-nitrophenyl)azo)-5-(diethylamino)phenyl)acetamideAcetamide, N-(2-(2-(2-bromo-6-cyano-4-nitrophenyl)diazenyl)-5-(diethylamino)phenyl)-Acetamide, N-[2-[(2-bromo-6-cyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]-, (E)-Acetamide, N-[2-[2-(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]-Acetamide, N-(2-((2-bromo-6-cyano-4-nitrophenyl)azo)-5-(diethylamino)phenyl)-Acetamide, N-(2-((2-bromo-6-cyano-4-nitrophenyl)azo)-5-(diethylamino)phenyl)-, (E)-RefChem:551662Acetamide, N-2-(2-bromo-6-cyano-4-nitrophenyl)azo-5-(diethylamino)phenyl-
Show more names
C.I. Disperse Blue 183:1 press caken-[2-[(2-bromo-6-cyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]-acetamid2'-(Acetylamino)-6-bromo-4'-(diethylamino)-4-nitroazobenzene-2-carbonitrile
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 656
Physicochemical properties
- Melting point
- 240 · 240-243 °C
- Boiling point
- 685.2 · 685.2±55.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 14.03 · 14.03±0.70(Predicted)
- EPA Substance Registry System
- 2 · Acetamide, N-[2-[2-(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]- (2537-62-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- TSCA
- TSCA listed
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 75.6% (31 of 41) of all reports.
Warning
H317 (24.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Acetamide, N-[2-[(2-bromo-6-cyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]-
Chemical: Acetamide, N-[2-[(2-bromo-6-cyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]-, (E)-
Hazard Traits - Bioaccumulation; Environmental Persistence
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Acetamide, N-2-(2-bromo-6-cyano-4-nitrophenyl)azo-5-(diethylamino)phenyl-: 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 CategoriesSkin Sens. 1 (24.4%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-[2-[2-(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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