4-Hydrazinobenzoesure

4-Hydrazinobenzoic acid

HCID 12089CAS 619-67-0

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Grundinformationen

Standard-SMILES: NNc1ccc(C(=O)O)cc1
InChIKey: PCNFLKVWBDNNOW-UHFFFAOYSA-N
Summenformel: C7H8N2O2
Durchschnittliche Molmasse: 152,15 g/mol
Monoisotopische Masse: 152,0585775

Überblick

4-hydrazinobenzoic acid has been reported in Agaricus bisporus with data available.

Namen und Bezeichner

Bevorzugter Name: 4-Hydrazinobenzoic acid
IUPAC: 4-hydrazinylbenzoic acid
Lokaler Name: 4-Hydrazinobenzoesure
Englischer Name: 4-Hydrazinylbenzoic acid
Summenformel: C7H8N2O2
Molmasse: 152.15

Namen und Synonyme

4-Hydrazinobenzoic acid619-67-04-hydrazinylbenzoic acidp-Hydrazinobenzoic acidBenzoic acid, 4-hydrazino-(4-Carboxyphenyl)hydrazineBENZOIC ACID, p-HYDRAZINO-DTXSID3020708Benzoic acid, 4-hydrazinyl-B1R368JE7ONSC-3813DTXCID10708

Weitere Namen anzeigen

4-hydrazineylbenzoic acidAKOS BBS-00006727P-carboxyl hydrazineDelarox EP Impurity Fp-hydrazino-benzoicaci4-hydrazino-benzoicaciDeferasirox Impurity 11

RefChem:523625210-609-54-Carboxyphenylhydrazinep-CarboxyphenylhydrazineMFCD00007581Deferasirox Hydrazino Impurity4-hydrazino benzoic acidCCRIS 7911

Datenbank-Bezeichner

CAS: 619-67-0
PubChem CID: 12089
DTXSID: DTXSID3020708
ChEMBL: CHEMBL3189010
UNII: B1R368JE7O
EC Number: 210-609-5
Nikkaji: J60.373B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,9
Polarare Oberfläche (TPSA): 75,4 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 141

Physikochemische Eigenschaften

Schmelzpunkt: 218 °C · 218 °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)
Flammpunkt: 110 ° · >110°
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly, Heated)
Aggregatzustand: Crystalline Powder
pka: 4.14 · 4.14±0.10(Predicted)
Farbe: Light yellow to light brown
BRN: 387378 · 387378
Stabilität: Stable. Combustible. Incompatible with strong acids, strong oxidizing agents.
InChI: InChI=1S/C7H8N2O2/c8-9-6-3-1-5(2-4-6)7(10)11/h1-4,9H,8H2,(H,10,11)
InChIKey: PCNFLKVWBDNNOW-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(NN)C=C1
CAS Datenbank: 619 · 619-67-0(CAS DataBase Reference)
EPA chemische Informationen: 4 · Benzoic acid, 4-hydrazino- (619-67-0)

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 63 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.