Basic information
- CAS
51421-22-8- Standard SMILES
NNCc1cccc([N+](=O)[O-])c1- InChIKey
UVLKAHYGKLRXON-UHFFFAOYSA-N- Molecular formula
- C7H9N3O2
- Average molar mass
- 167.17 g/mol
- Monoisotopic mass
- 167.06947654
Names & identifiers
- Preferred name
- (3-Nitrobenzyl)hydrazine
- IUPAC
- (3-nitrophenyl)methylhydrazine
- English name
- (3-nitrobenzyl)hydrazine
- Molecular formula
- C7H9N3O2
- Molecular weight
- 167.17
Names & synonyms
(3-nitrobenzyl)hydrazine51421-22-8(3-nitrophenyl)methylhydrazine[(3-Nitrophenyl)methyl]hydrazine3-nitrobenzylhydrazineSCHEMBL1829879DTXSID80608265UVLKAHYGKLRXON-UHFFFAOYSA-NAKOS000160068DB-336018CS-0100069D76063
Show more names
Hydrazine, [(3-nitrophenyl)methyl]-
EN300-270894
Database identifiers
- CAS
51421-22-8- PubChem CID
- 20511322
- DTXSID
DTXSID80608265
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 381.933 · 381.933±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.68 · 6.680±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
沈阳莫德医药科技有限公司024-23982345 · [email protected]
Related reactions
2 records
Compound notes
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