2-Chloro-4-methyl-6-nitrophenol
Basic information
- CAS
60468-61-3- Standard SMILES
Cc1cc(Cl)c(O)c([N+](=O)[O-])c1- InChIKey
SIYAPMJYXMMGBH-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO3
- Average molar mass
- 187.58 g/mol
- Monoisotopic mass
- 187.0036207
Names & identifiers
- Preferred name
- 2-Chloro-4-methyl-6-nitrophenol
- IUPAC
- 2-chloro-4-methyl-6-nitrophenol
- English name
- Phenol, 2-chloro-4-methyl-6-nitro-
- Molecular formula
- C7H6ClNO3
- Molecular weight
- 187.58
Names & synonyms
2-CHLORO-4-METHYL-6-NITROPHENOL60468-61-3Phenol, 2-chloro-4-methyl-6-nitro-2-chloro-4-methyl-6-nitro-phenolMFCD15527227SCHEMBL4544555SCHEMBL28325905DTXSID20538158SIYAPMJYXMMGBH-UHFFFAOYSA-NBS-44367G11613
Database identifiers
- CAS
60468-61-3- PubChem CID
- 13358043
- DTXSID
DTXSID20538158
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H317-H318-H410
- Precautionary statements
- 261 · P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P391-P501
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
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- Hazard statements
- H302-H315-H317-H318-H410
- Precautionary statements
- P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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