2,5-Dihydroxybenzonitrile
Basic information
- CAS
4640-29-3- Standard SMILES
N#Cc1cc(O)ccc1O- InChIKey
APGLXTXFTYAQKC-UHFFFAOYSA-N- Molecular formula
- C7H5NO2
- Average molar mass
- 135.12 g/mol
- Monoisotopic mass
- 135.0320284
Names & identifiers
- Preferred name
- 2,5-Dihydroxybenzonitrile
- IUPAC
- 2,5-dihydroxybenzonitrile
- English name
- 2,5-Dihydroxybenzonitrile
- Molecular formula
- C7H5NO2
- Molecular weight
- 135.12
Names & synonyms
2,5-DihydroxybenzonitrileGentisonitrileBenzonitrile, 2,5-dihydroxy-EINECS 225-068-0D72T49A73CDTXSID80196834RefChem:82874DTXCID201193254640-29-3MFCD007971212,5-dihydroxybenzenecarbonitrilecyanohydroquinone
Show more names
2-CyanohydroquinoneUNII-D72T49A73CSCHEMBL1267040AKOS015856473AC-22654DS-12870DB-024702NS00031602
Database identifiers
- CAS
4640-29-3- PubChem CID
- 78374
- DTXSID
DTXSID80196834- UNII
- D72T49A73C
- EC Number
- 225-068-0
- Nikkaji
- J80.867I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 165 · 165-167 °C
- Boiling point
- 347.4 · 347.4±32.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 7.88 · 7.88±0.18(Predicted)
- FDA UNII
- 72 T49A73C · D72T49A73C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
1 records
Compound notes
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