Benzoic acid, 4-nitro-, hydrazide

HCID 3693744CAS 636-97-5

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Grundinformationen

Standard-SMILES: NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey: FKZXYJYTUSGIQE-UHFFFAOYSA-N
Summenformel: C7H7N3O3
Durchschnittliche Molmasse: 181,15 g/mol
Monoisotopische Masse: 181,04874108

Überblick

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.

Namen und Bezeichner

Bevorzugter Name: Benzoic acid, 4-nitro-, hydrazide
IUPAC: 4-nitrobenzohydrazide

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 101 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 206

Experimentelle und physikochemische Eigenschaften

LogP0.35

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.