Benzoic acid, 4-nitro-, hydrazide

HCID 3693744

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Basic information

CAS: 636-97-5
Standard SMILES: NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey: FKZXYJYTUSGIQE-UHFFFAOYSA-N
Molecular formula: C7H7N3O3
Average molar mass: 181.15 g/mol
Monoisotopic mass: 181.04874108

Overview

4-nitrobenzohydrazide is a C-nitro compound in which the nitro group is substituted into the 4-position of benzohydrazide. It is functionally related to a benzohydrazide.

Names & identifiers

Preferred name: Benzoic acid, 4-nitro-, hydrazide
IUPAC: 4-nitrobenzohydrazide

Names & synonyms

4-Nitrobenzohydrazide4-Nitrobenzhydrazide636-97-5p-Nitrobenzhydrazide4-Nitrobenzoylhydrazine4-Nitrobenzoic acid hydrazidep-Nitrobenzoic acid hydrazidep-Nitrobenzohydrazide(p-Nitrobenzoyl)hydrazinep-Nitrobenzoylhydrazidep-Nitrobenzoic hydrazide(4-Nitrobenzoyl)hydrazide

Show more names

(4-Nitrobenzoyl)hydrazineBenzoic acid, 4-nitro-, hydrazideNSC 9804AZ8HT8UU5SBENZOIC ACID, p-NITRO-, HYDRAZIDEEINECS 211-271-1BRN 0519882AI3-08928

Database identifiers

CAS: 636-97-5
PubChem CID: 3693744
DTXSID: DTXSID2060913
ChEMBL: CHEMBL122072
ChEBI: CHEBI:66928
UNII: AZ8HT8UU5S
EC Number: 211-271-1
Nikkaji: J42.039E

Properties

Computed structural propertiesFilling in

XLogP: 0.3
Topological polar surface area: 101 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 206

Experimental & physicochemical properties

LogP0.35

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.