Basic information
- CAS
233585-04-1- Standard SMILES
N#Cc1c(O)ccc([N+](=O)[O-])c1O- InChIKey
UJRWAOVXKTVXBQ-UHFFFAOYSA-N- Molecular formula
- C7H4N2O4
- Average molar mass
- 180.12 g/mol
- Monoisotopic mass
- 180.01710661
Names & identifiers
- Preferred name
- 2,6-Dihydroxy-3-nitrobenzonitrile
- IUPAC
- 2,6-dihydroxy-3-nitrobenzonitrile
- English name
- 2,6-Dihydroxy-3-nitrobenzonitrile
- Molecular formula
- C7H4N2O4
- Molecular weight
- 180.12
Names & synonyms
2,6-dihydroxy-3-nitrobenzonitrile233585-04-12,6-dihydroxy-3-nitro-benzonitrileMFCD00017325DTXSID30371174AKOS027383221AS-91052,6-Dihydroxy-3-nitrobenzonitrile, techDB-008141CS-0328271Benzonitrile, 2,6-dihydroxy-3-nitro-
Database identifiers
- CAS
233585-04-1- PubChem CID
- 2736162
- DTXSID
DTXSID30371174
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Melting point
- 239 °C · 239 °C
- Boiling point
- 358.2 · 358.2±42.0 °C(Predicted)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- pka
- 4.03 · 4.03±0.37(Predicted)
- CAS DataBase Reference
- 233585 · 233585-04-1(CAS DataBase Reference)
- Hazard Codes
- Xi
- HS Code
- 2926907090 · 2926907090
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
- hs_code
- 2926907090
- hazard_code
- Xi
Chemistry & industry
Suppliers6 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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