Basic information
- CAS
6294-89-9- Standard SMILES
COC(=O)NN- InChIKey
WFJRIDQGVSJLLH-UHFFFAOYSA-N- Molecular formula
- C2H6N2O2
- Average molar mass
- 90.08 g/mol
- Monoisotopic mass
- 90.04292743
Overview
carbadox metabolite
Names & identifiers
- Preferred name
- Methyl carbazate
- IUPAC
- methyl N-aminocarbamate
- English name
- Methyl carbazate
- Molecular formula
- C2H6N2O2
- Molecular weight
- 90.08
Names & synonyms
Methyl carbazate6294-89-9CarbomethoxyhydrazideMethylcarbazateHydrazinecarboxylic acid, methyl esterDTXSID3020835NSC-117090L5442J16QDTXCID90835RefChem:157813228-560-3Methyl hydrazinecarboxylate
Show more names
Carbazic acid methylhydrazinocarboxylateMethyl HhydrazinocarboxyLMethylcarbazate,98%Methyl Carbazate-d3Methyl Carbazate >
Methyl hydrazinocarboxylatemethoxycarbohydrazidemethyl N-aminocarbamateCarbazic acid, methyl esterMethyl hydrazinoformate(Methoxycarbonyl)hydrazineMethoxycarbonylhydrazinemethylhydrazinocarboxylate
Database identifiers
- CAS
6294-89-9- PubChem CID
- 80519
- DTXSID
DTXSID3020835- ChEMBL
CHEMBL3183780- UNII
- 0L5442J16Q
- EC Number
- 228-560-3
- Nikkaji
- J25.571H
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 53.5
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Physicochemical properties
- Melting point
- 70 · 70-73 °C (lit.)
- Boiling point
- 108 °C/12 · 108 °C/12 mmHg (lit.)
- Density
- 1.3348 · 1.3348 (rough estimate)
- refractive index
- 1.4368 · 1.4368 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 578 g/l · 578g/l
- pka
- 10.52 · 10.52±0.20(Predicted)
- form
- Crystalline Powder, Crystals or Platelets
- color
- White to pink
- Water Solubility
- soluble
- BRN
- 1679395 · 1679395
- InChI
- 1S/C2H6N2O2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)
- InChIKey
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Regulatory InformationStatus: Active Update: 31-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19357
Hazard Classes and CategoriesAcute Tox. 3 (55.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 29280000
- risk_code
- 36/37/38-48-23/25-25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 26-37/39-45-38-36/37/39-22-36/37
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHydrazinecarboxylic acid, methyl ester: ACTIVE
Applications
UsesMethyl 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.
UsesHydrazine derivative.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
143 records
Compound notes
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