4-Chloro-2-methyl-6-nitrophenol
Basic information
- CAS
1760-71-0- Standard SMILES
Cc1cc(Cl)cc([N+](=O)[O-])c1O- InChIKey
AQCYSHAXKXQEFZ-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO3
- Average molar mass
- 187.58 g/mol
- Monoisotopic mass
- 187.0036207
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-Chloro-2-methyl-6-nitrophenol
- IUPAC
- 4-chloro-2-methyl-6-nitrophenol
- English name
- 4-chloro-6-nitro-o-cresol
- Molecular formula
- C7H6ClNO3
- Molecular weight
- 187.58
Names & synonyms
4-chloro-2-methyl-6-nitrophenol1760-71-04-Chloro-6-nitro-o-cresol7MM8H48CF7DTXSID90170064RefChem:521654DTXCID3092555217-165-14-Chloro-2-methyl-6-nitro-phenolPhenol, 4-chloro-2-methyl-6-nitro-MFCD09910242EINECS 217-165-1
Show more names
o-Cresol, 4-chloro-6-nitro-SCHEMBL4969056SCHEMBL28045327AQCYSHAXKXQEFZ-UHFFFAOYSA-BAA76071AKOS011654725DB-358004NS00025784
Database identifiers
- CAS
1760-71-0- PubChem CID
- 74478
- DTXSID
DTXSID90170064- UNII
- 7MM8H48CF7
- EC Number
- 217-165-1
- Nikkaji
- J203.166C
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
- Melting point
- 107 °C · 107 °C
- Boiling point
- 264.8 · 264.8±35.0 °C(Predicted)
- Density
- 1.466 · 1.466±0.06 g/cm3(Predicted)
- pka
- 6.69 · 6.69±0.38(Predicted)
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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
Loading…