Basic information
- CAS
85536-83-0- Standard SMILES
O=[N+]([O-])CC(O)c1ccccc1Cl- InChIKey
NSILZMQANUEUBT-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO3
- Average molar mass
- 201.61 g/mol
- Monoisotopic mass
- 201.0192708
Names & identifiers
- Preferred name
- 2-Chloro-alpha-(nitromethyl)benzyl alcohol
- IUPAC
- 1-(2-chlorophenyl)-2-nitroethanol
- English name
- 2-chloro-alpha-(nitromethyl)benzyl alcohol
- Molecular formula
- C8H8ClNO3
- Molecular weight
- 201.61
Names & synonyms
85536-83-02-Chloro-alpha-(nitromethyl)benzyl alcoholNSC3940EINECS 287-570-61-(2-chlorophenyl)-2-nitroethan-1-olSCHEMBL27828301DTXSID401277612NSC 3940NSC-39402-Chloro-I+/--(nitromethyl)benzenemethanolDS-013127NS00064934
Show more names
1-(2-Chlorophenyl)-2-nitroethanol2-chloro-α-(nitromethyl)benzyl alcohol2-Chloro-α-(nitromethyl)benzenemethanolBenzenemethanol, 2-chloro-α-(nitromethyl)-
Database identifiers
- CAS
85536-83-0- PubChem CID
- 95360
- DTXSID
DTXSID401277612- EC Number
- 287-570-6
- Nikkaji
- J310.609H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 345.9 · 345.9±37.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- pka
- 7.78 · 7.78±0.38(Predicted)
Chemistry & industry
Suppliers2 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [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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