CAS 1435-71-8 4-Methyl-2-[2-(2-nitrophenyl)diazenyl]phenol (HCID 74029)

Substructure search Find similar structures

Basic information

CAS: 1435-71-8
Standard SMILES: Cc1ccc(O)c(N=Nc2ccccc2[N+](=O)[O-])c1
InChIKey: DRPPFIRCBMBJCM-UHFFFAOYSA-N
Molecular formula: C13H11N3O3
Average molar mass: 257.24 g/mol
Monoisotopic mass: 257.08004121

Names & identifiers

Preferred name: 4-Methyl-2-[2-(2-nitrophenyl)diazenyl]phenol
IUPAC: 4-methyl-2-[(2-nitrophenyl)diazenyl]phenol
English name: 4-Methyl-2-(2'-nitrophenyl)azophenol
Molecular formula: C13H11N3O3
Molecular weight: 257.24

Names & synonyms

1435-71-84-Methyl-2-[2-(2-nitrophenyl)diazenyl]phenol4-Methyl-2-(2-(2-nitrophenyl)diazenyl)phenolRefChem:1987284-Methyl-2-(2'-nitrophenyl)azophenol2-[(o-Nitrophenyl)azo]-p-cresol2-Hydroxy-5-methyl-2'-nitroazobenzene2-((o-Nitrophenyl)azo)-p-cresol4-methyl-2-[(2-nitrophenyl)diazenyl]phenol(Z)-4-Methyl-2-((2-nitrophenyl)diazenyl)phenol2-nitro-2'-hydroxy-5'-methylazobenzeneF2379XLC0U

Show more names

2-[(2-Nitrophenyl)azo]-p-cresol4-Methyl-2-(o-nitrophenylazo)phenol4-Methyl-2-[(2-nitrophenyl)azo]phenol2-Hydroxy-5-methyl-2''-nitroazobenzenePhenol, 4-methyl-2-[2-(2-nitrophenyl)diazenyl]-

Phenol, 4-methyl-2-((2-nitrophenyl)azo)-Phenol, 4-methyl-2-[(2-nitrophenyl)azo]-Phenol, 4-methyl-2-(2-(2-nitrophenyl)diazenyl)-2-[(2-Nitrophenyl)-azo]-p-cresolUNII-F2379XLC0UEINECS 215-863-0EC 215-863-0SCHEMBL5184493

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 90.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 343

Physicochemical properties

Melting point: 108 · 108-110 °C
Boiling point: 462.5 · 462.5±45.0 °C(Predicted)
Density: 1.31 · 1.31±0.1 g/cm3(Predicted)
pka: 8.55 · 8.55±0.43(Predicted)
LogP: 4 at · 4 at 20.8℃ and pH6
FDA UNII: 2379 XLC0U · F2379XLC0U
NIST Chemistry Reference: 4 · Phenol, 4-methyl-2-[(2-nitrophenyl)azo]-(1435-71-8)
EPA Substance Registry System: 2 · 2-[(o-Nitrophenyl)azo]-p-cresol (1435-71-8)
TSCA: TSCA listed
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 99% (104 of 105) of all reports.

Not Classified

Aggregated GHS information provided per 105 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Active Update: 29-04-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1573

Hazard Classes and CategoriesNot Classified

Safety data

tsca: TSCA listed
REACH Registrations: Active

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhenol, 4-methyl-2-[2-(2-nitrophenyl)diazenyl]-: ACTIVE

Applications

Uses(Z)-4-Methyl-2-((2-nitrophenyl)diazenyl)phenol is an intermediate in the synthesis of Drometrizole (D679400). Isotope labelled Drometrizole is an intermediate reactant in the synthesis of UV light absorbers for polyester fibers.