methoxycarbohydrazide

• ChemBase ID: 89345
• Molecular Formular: C2H6N2O2
• Molecular Mass: 90.08124
• Monoisotopic Mass: 90.04292744
• SMILES: O(C)C(=O)NN
• Canonical SMILES: COC(=O)NN
• InChI: InChI=1S/C2H6N2O2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)
• InChIKey: WFJRIDQGVSJLLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methoxycarbohydrazide
• IUPAC Traditional name: methoxycarbohydrazide
• Synonyms: methyl hydrazinecarboxylate; Methyl hydrazinocarboxylate; Methyl carbazate; Methyl carbazate; Methoxycarbonylhydrazine; Methyl carbazate; Methyl hydrazinocarboxylate; 卡巴肼甲酯; 甲氧基羰酰肼; 肼基甲酸甲酯

Database IDs

• CAS Number: 6294-89-9
• EC Number: 228-560-3
• MDL Number: MFCD00007594
• Beilstein Number: 1679395
• PubChem SID: 162076225; 24849157
• PubChem CID: 80519

CALCULATED PROPERTIES

• Molar Refractivity: 20.5736 cm^3
• Polarizability: 7.860245 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 12.785743
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.70817196
• LogD (pH = 7.4): -0.7074833
• Log P: -0.70747286

PROPERTIES

Physical Property

• Melting Point: 70-73 °C(lit.); 70-73°C; 70-73°C
• Boiling Point: 108 °C/12 mmHg(lit.); 108°C/12mm

Safety Information

• European Hazard Symbols: Toxic (T); Irritant (Xi)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 25-36/37/38; 36/37/38
• Safety Statements: 26-36/37-45; 26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 98%
• Linear Formula: H2NNHCO2CH3

DETAILS

Sigma Aldrich - 151653

Packaging
100, 500 g in poly bottle

REFERENCES

• Alternatively, reaction of the diazene intermediate with MeI and LiOMe yields the ɑ-methylnitrile: J. Org. Chem., 42, 2001 (1977).
• Can be used in a sequence for converting ketones to homologated nitriles: Org. Synth. Coll:, 6, 334 (1988):