Basic information
- CAS
6939-95-3- Standard SMILES
CC(O)c1cccc(Cl)c1- InChIKey
QYUQVBHGBPRDKN-UHFFFAOYSA-N- Molecular formula
- C8H9ClO
- Average molar mass
- 156.61 g/mol
- Monoisotopic mass
- 156.0341926
Names & identifiers
- Preferred name
- 3-Chloro-alpha-methylbenzenemethanol
- IUPAC
- 1-(3-chlorophenyl)ethanol
- English name
- 1-(3-Chlorophenyl)-1-ethanol
- Molecular formula
- C8H9ClO
- Molecular weight
- 156.61
Names & synonyms
6939-95-33-Chloro-alpha-methylbenzyl alcohol3-Chloro-alpha-methylbenzenemethanolDTXSID601301679RefChem:1067605DTXCID60835138230-079-91-(3-chlorophenyl)ethanol1-(3-chlorophenyl)ethan-1-olMFCD000218641-(m-chlorophenyl)ethanol1-(3-chlorophenyl)-ethanol
Show more names
SKL311M-CHLOROPHENYLMETHYLCARBINOL3-CHLOROPHENYLMETHYLCARBINOL1-(3-Chlorophenyl)-1-ethanol1-(3-Chlorophenyl)ethanol,97%3-Chloro-methylbenzenemethanolM-CHLORO-A-METHYLBENZYL ALCOHOL
AKOS016050391SY005051EN300-494893-chlorophenylethanolNSC38772EINECS 230-079-9methyl 4-chloropyridine-23'-chloro-1-phenylethanol
Database identifiers
- CAS
6939-95-3- PubChem CID
- 97779
- DTXSID
DTXSID601301679- EC Number
- 230-079-9
- Nikkaji
- J265.565I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 83 · 83-85°C 1,5mm
- Density
- 1 · 1,173 g/cm3
- refractive index
- 1.5445 · 1.5445
- Flash point
- 110 °C · >110°C
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 14.16 · 14.16±0.20(Predicted)
- form
- clear liquid
- color
- Colorless to Orange to Green
- BRN
- 2042021 · 2042021
- CAS DataBase Reference
- 6939 · 6939-95-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Safety Statements
- 24 · 24/25
- HS Code
- 2906.29 · 2906.29.6000
Safety & regulation
Safety data
- hs_code
- 2906.29.6000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1-(3-Chlorophenyl)-1-ethanol can be used for organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers56 total
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Related reactions
7 records
Compound notes
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