Basic information
- CAS
36433-51-9- Standard SMILES
Cc1cc(Cl)c(C)c(C)c1O- InChIKey
XNQJHONAJJVDKU-UHFFFAOYSA-N- Molecular formula
- C9H11ClO
- Average molar mass
- 170.63 g/mol
- Monoisotopic mass
- 170.0498427
Names & identifiers
- Preferred name
- 4-Chloro-2,3,6-trimethylphenol
- IUPAC
- 4-chloro-2,3,6-trimethylphenol
- English name
- Phenol, 4-chloro-2,3,6-trimethyl-
- Molecular formula
- C9H11ClO
- Molecular weight
- 170.64
Names & synonyms
4-chloro-2,3,6-trimethylphenol36433-51-9DTXSID00294240RefChem:291354DTXCID60245379Phenol, 4-chloro-2,3,6-trimethyl-NSC95426SCHEMBL6379555SCHEMBL63795602,3,6-trimethyl-4-chlorophenolXNQJHONAJJVDKU-UHFFFAOYSA-NNSC-95426
Database identifiers
- CAS
36433-51-9- PubChem CID
- 262102
- DTXSID
DTXSID00294240
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 266.3 · 266.3±35.0 °C(Predicted)
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- pka
- 10.35 · 10.35±0.28(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Compound notes
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