4-nitro-m-phenylenediamine

Description

4-nitro-m-phenylenediamine · CAS 5131-58-8 · C6H7N3O2. UNII 0D5U5EW62Z. Melting Point: 322 °F (NTP, 1992); Melting Point: 161 °C; Vapor Pressure: 0.000056 [mmHg].

Identification

CAS Registry Number	5131-58-8
PubChem CID	21208
Molecular formula	C6H7N3O2
IUPAC name	4-nitrobenzene-1,3-diamine
UNII (FDA)	0D5U5EW62Z

Computed Descriptors

Molecular Weight	153.14
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	153.053826475
Monoisotopic Mass	153.053826475
Topological Polar Surface Area	97.9
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Melting Point	322 °F (NTP, 1992)
Melting Point	161 °C
Vapor Pressure	0.000056 [mmHg]

Physical description & handling notes

• 4-nitro-1,3-benzenediamine appears as orange prisms with blue luster or yellow crystalline solid. (NTP, 1992)
• Orange solid; [HSDB] Orange solid with blue luster or yellow solid; [CAMEO] Yellow or brown crystalline powder; [Alfa Aesar MSDS]
• Orange prisms from water
• less than 1 mg/mL at 68.9 °F (NTP, 1992)

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Cosmetic ingredients (4-Nitro-m-Phenylenediamine) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Hair dyeing

GHS Hazard Classification

Reported hazard statements	H302 (13%), H315 (15.2%), H319 (10.9%), H334 (84.8%)

Documented Uses

• CIR ingredient: 4-Nitro-m-Phenylenediamine
• Used as a disperse dye intermediate and hair colorant; [HSDB]
• Dressing Hair [Category: Other]
• ... Used as a hair colorant in cosmetic products.
• A wide variety of reaction types, including direct nitration, selective reduction, electrophilic substitution, alkylation, and molecular rearrangement are used in the manufacture of the commercially used nitro dyes.
• 1,3-Benzenediamine, 4-nitro-: INACTIVE

Synonyms

5131-58-8; 4-Nitro-1,3-phenylenediamine; 4-Nitro-m-phenylenediamine; 2,4-Diaminonitrobenzene; 4-NITRO-1,3-BENZENEDIAMINE; 1,3-Benzenediamine, 4-nitro-; 1,3-Diamino-4-nitrobenzene; 4-Nitro-1,3-diaminobenzene; m-Phenylenediamine, 4-nitro-; C.I. 76030; 4-Nitro-1,3-fenylendiamin; NSC 9575; CCRIS 4682; DTXSID1025770; HSDB 6243; EINECS 225-876-3

Frequently Asked Questions

What are the CAS number and molecular formula of 4-nitro-m-phenylenediamine?

CAS 5131-58-8; molecular formula C6H7N3O2; molecular weight — g/mol.

What other names is 4-nitro-m-phenylenediamine known by?

5131-58-8, 4-Nitro-1,3-phenylenediamine, 4-Nitro-m-phenylenediamine, 2,4-Diaminonitrobenzene, 4-NITRO-1,3-BENZENEDIAMINE, 1,3-Benzenediamine, 4-nitro-.

What is the regulatory status of 4-nitro-m-phenylenediamine?

Documented regulatory listings: CIR / INCI: Cosmetic ingredients (4-Nitro-m-Phenylenediamine) -> CIR (Cosmetic Ingredient Review); CIR / INCI: Hair dyeing.

Is 4-nitro-m-phenylenediamine classified as hazardous?

Hazard statements reported: H302, H315, H319, H334.

What are the key physical properties of 4-nitro-m-phenylenediamine?

Melting Point: 322 °F (NTP, 1992); Melting Point: 161 °C; Vapor Pressure: 0.000056 [mmHg].

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.