4-Hydroxybenzohydrazid

4-Hydroxybenzoic acid hydrazide

HCID 1742CAS 5351-23-5

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Grundinformationen

Standard-SMILES: NNC(=O)c1ccc(O)cc1
InChIKey: ZMZGIVVRBMFZSG-UHFFFAOYSA-N
Summenformel: C7H8N2O2
Durchschnittliche Molmasse: 152,15 g/mol
Monoisotopische Masse: 152,0585775

Überblick

4-hydroxybenzohydrazide is a carbohydrazide obtained by formal condensation of the carboxy group of 4-hydroxybenzoic acid with hydrazine. It is a member of phenols and a carbohydrazide. It is functionally related to a 4-hydroxybenzoic acid.

Namen und Bezeichner

Bevorzugter Name: 4-Hydroxybenzoic acid hydrazide
IUPAC: 4-hydroxybenzohydrazide
Lokaler Name: 4-Hydroxybenzohydrazid
Englischer Name: 4-Hydroxybenzhydrazide
Summenformel: C7H8N2O2
Molmasse: 152.15

Namen und Synonyme

4-hydroxybenzhydrazide4-Hydroxybenzohydrazide5351-23-54-Hydroxybenzoic acid hydrazide4-Hydroxybenzoylhydrazinep-Hydroxybenzoic acid hydrazideY4G7G6U5GQpara-Hydroxybenzoic acid hydrazideNSC-647DTXSID90201721RefChem:524006DTXCID20124212

Weitere Namen anzeigen

PAHBAHDK841NSC647NSC 647ST50461904OHPhCON2AIDS009023EU-0100568(4-Hydroxyb

226-326-54-Hydroxybenzoic hydrazidep-HydroxybenzhydrazideBenzoic acid, 4-hydroxy-, hydrazide(p-Hydroxybenzoyl)hydrazinep-Hydroxybenzoic hydrazideMFCD000076054-Oxidanylbenzohydrazide

Datenbank-Bezeichner

CAS: 5351-23-5
PubChem CID: 1742
DTXSID: DTXSID90201721
ChEMBL: CHEMBL124267
ChEBI: CHEBI:195425
UNII: Y4G7G6U5GQ
EC Number: 226-326-5
Nikkaji: J5.203E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,3
Polarare Oberfläche (TPSA): 75,4 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 141

Experimentelle und physikochemische Eigenschaften

LogP-0.33

Solubility22.4 [ug/mL] (The mean of the results at pH 7.4)

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 264 · 264-266 °C (dec.)(lit.)
Siedepunkt: 274.61 °C · 274.61°C (rough estimate)
Dichte: 1.2804 · 1.2804 (rough estimate)
Brechungsindex: 1.52 · 1.5200 (estimate)
storage temp.: 15 °C · Store at +15°C to +25°C.
Löslichkeit: 26.5 g/l · 26.5g/l
Aggregatzustand: Fine Crystalline Powder
pka: 8.57 · 8.57±0.15(Predicted)
Farbe: White to slightly beige
Biologische Quelle: synthetic
Wasserlöslichkeit: 26.5 g/L · 26.5g/L
BRN: 473052 · 473052
InChI: 1S/C7H8N2O2/c8-9-7(11)5-1-3-6(10)4-2-5/h1-4,10H,8H2,(H,9,11)
InChIKey: ZMZGIVVRBMFZSG-UHFFFAOYSA-N
SMILES: NNC(=O)c1ccc(O)cc1
CAS Datenbank: 5351 · 5351-23-5(CAS DataBase Reference)
NIST chemische Informationen: P-hydroxybenzoic acid, hydrazide(5351-23-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (98%): 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 08-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22867

Benzoic acid, 4-hydroxy-, hydrazide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (98%)

Sicherheitsdaten

wgk: 3
hs_code: 29280090
risk_code: 36/37/38
hazard_code: Xi,C
safety_code: 26-36-37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Hydroxybenzhydrazide is a reagent for the rapid automated determination of serum glucose.It can be used as an indicator for the determination of carbohydrates. The acid-hydrolyzable side chains of tissue (liver) bound 4-Hydroxybenzhydrazide can be used as markers to monitor its residues in chickens.