2-Chloro-6-methylphenol
Properties
- Molecular formula
- C7H7ClO
- Molar mass
- 142.58 g/mol
- Exact mass
- 142.0185 Da
- Density
- 1.195 g/mL (at 25 °C)
- Melting point
- 130 °C
- Boiling point
- 189 °C
- logP
- 2.35Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed42.9% of notifiers
- H302 Harmful if swallowed57.1% of notifiers
- H311 Toxic in contact with skin42.9% of notifiers
- H312 Harmful in contact with skin57.1% of notifiers
- H314 Causes severe skin burns and eye damage28.6% of notifiers
- H315 Causes skin irritation71.4% of notifiers
- H318 Causes serious eye damage71.4% of notifiers
- H331 Toxic if inhaled28.6% of notifiers
- H332 Harmful if inhaled71.4% of notifiers
- H335 May cause respiratory irritation100% of notifiers
- H400 Very toxic to aquatic life85.7% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, P501
Identifiers
CAS number
87-64-9SMILES
Cc1cccc(Cl)c1OInChIKey
YPNZJHFXFVLXSE-UHFFFAOYSA-NInChI
InChI=1S/C7H7ClO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Phenol, 2-chloro-6-methyl-
- o-Cresol, 6-chloro-
- 6-Chloro-o-cresol
- 2-Methyl-6-chlorophenol
- 6-Chloro-2-methylphenol
- 3-Chloro-2-hydroxytoluene
- NSC 2878
Work with 2-Chloro-6-methylphenol
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Poly(P-phenylene oxide)25134-01-468 % similar
2,6-Xylenol576-26-168 % similar
2,6-Dichlorophenol87-65-064 % similar
2-Chlorotoluene95-49-858 % similar
3-Methylcatechol488-17-558 % similar
2,4-Dichloro-6-methylphenol1570-65-657 % similar
2-Bromo-6-methylphenol13319-71-656 % similar
2,3-Dichlorotoluene32768-54-054 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.