Methyl carbazate (HCID 80519)

Überblick

carbadox metabolite

Namen und Bezeichner

Bevorzugter Name: Methyl carbazate
IUPAC: methyl N-aminocarbamate
Englischer Name: Methyl carbazate
Summenformel: C2H6N2O2
Molmasse: 90.08

Namen und Synonyme

Methyl carbazate6294-89-9CarbomethoxyhydrazideMethylcarbazateHydrazinecarboxylic acid, methyl esterDTXSID3020835NSC-117090L5442J16QDTXCID90835RefChem:157813228-560-3Methyl hydrazinecarboxylate

Weitere Namen anzeigen

Carbazic acid methylhydrazinocarboxylateMethyl HhydrazinocarboxyLMethylcarbazate,98%Methyl Carbazate-d3Methyl Carbazate >

Methyl hydrazinocarboxylatemethoxycarbohydrazidemethyl N-aminocarbamateCarbazic acid, methyl esterMethyl hydrazinoformate(Methoxycarbonyl)hydrazineMethoxycarbonylhydrazinemethylhydrazinocarboxylate

Datenbank-Bezeichner

CAS: 6294-89-9
PubChem CID: 80519
DTXSID: DTXSID3020835
ChEMBL: CHEMBL3183780
UNII: 0L5442J16Q
EC Number: 228-560-3
Nikkaji: J25.571H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,8
Polarare Oberfläche (TPSA): 64,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 6
Formalladung: 0
Komplexität: 53,5

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesCoriolis coupling

Physikochemische Eigenschaften

Schmelzpunkt: 70 · 70-73 °C (lit.)
Siedepunkt: 108 °C/12 · 108 °C/12 mmHg (lit.)
Dichte: 1.3348 · 1.3348 (rough estimate)
Brechungsindex: 1.4368 · 1.4368 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: 578 g/l · 578g/l
pka: 10.52 · 10.52±0.20(Predicted)
Aggregatzustand: Crystalline Powder, Crystals or Platelets
Farbe: White to pink
Wasserlöslichkeit: soluble
BRN: 1679395 · 1679395
InChI: 1S/C2H6N2O2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)
InChIKey: WFJRIDQGVSJLLH-UHFFFAOYSA-N
SMILES: COC(=O)NN
CAS Datenbank: 6294 · 6294-89-9(CAS DataBase Reference)
NIST chemische Informationen: Hydrazinecarboxylic acid, methyl ester(6294-89-9)
EPA chemische Informationen: Hydrazinecarboxylic acid, methyl ester (6294-89-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (55.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 88 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 31-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19357

Hazard Classes and CategoriesAcute Tox. 3 (55.7%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: 2811
hs_code: 29280000
risk_code: 36/37/38-48-23/25-25
hazard_code: Xi,T
safety_code: 26-37/39-45-38-36/37/39-22-36/37
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationHydrazinecarboxylic acid, methyl ester: ACTIVE

Anwendungen

VerwendenMethyl carbazate was used in the preparation of methyl 3-(4-methyl-benzyl-idene)carbazate. It was also used in the synthesis of imidazo[1,5-d][1,2,4]triazines. It is used as pharmaceutical intermediate.