Basic information
- CAS
1394965-96-8- Standard SMILES
COc1c(O)ccc(C)c1Cl- InChIKey
XJWDGEBXKQBFMV-UHFFFAOYSA-N- Molecular formula
- C8H9ClO2
- Average molar mass
- 172.61 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-6-hydroxy-3-methylanisole
- IUPAC
- 3-chloro-2-methoxy-4-methylphenol
- English name
- 2-Chloro-6-hydroxy-3-methylanisole
- Molecular formula
- C8H9ClO2
- Molecular weight
- 172.61
Names & synonyms
2-Chloro-6-hydroxy-3-methylanisole1394965-96-8MFCD231107983-chloro-2-methoxy-4-methylphenol3-chloro-2-methoxy-4-methyl-phenolCS-0193824E92548F631425Phenol, 3-chloro-2-methoxy-4-methyl-
Database identifiers
- CAS
1394965-96-8
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 257.5 · 257.5±35.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 9.32 · 9.32±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
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
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Chemistry & industry
Suppliers4 total
珠海奥博凯生物医药技术有限公司400-0628126
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
威海怀信生物科技有限公司15662379806 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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