Basic information
- CAS
54798-91-3- Standard SMILES
CC(O)c1cccc(Cl)c1Cl- InChIKey
QSCSGMDRGGZRRA-UHFFFAOYSA-N- Molecular formula
- C8H8Cl2O
- Average molar mass
- 191.05 g/mol
- Monoisotopic mass
- 189.9952203
Names & identifiers
- Preferred name
- 1-(2,3-Dichlorophenyl)ethanol
- IUPAC
- 1-(2,3-dichlorophenyl)ethanol
- English name
- 2,3-Dichloro-α-methylbenzenemethanol
- Molecular formula
- C8H8Cl2O
- Molecular weight
- 191.05
Names & synonyms
1-(2,3-Dichlorophenyl)ethanol54798-91-31-(2,3-dichlorophenyl)ethan-1-ol2,3-Dichloro-alpha-methylbenzenemethanolMFCD172226632,3-Dichloro-|A-methylbenzenemethanol2,3-Dichloro-alpha-methylbenzyl alcoholBenzenemethanol, 2,3-dichloro-.alpha.-methyl-dichloro-a-methylbenzyl alcoholSCHEMBL7546175SCHEMBL16956641DTXSID70970140
Show more names
2,3-Dichloro-α-methylbenzenemethanol2,3-dichloro-a-methyl-BenzenemethanolBenzenemethanol, 2,3-dichloro-α-methyl-
1-(2,3-Dichlorophenyl)ethanol #2,3-Dichloro-?-methylbenzenemethanolAKOS012083870AB90199alpha-Methyl-2,3-dichlorobenzyl alcoholDB-302238CS-0378454F78818
Database identifiers
- CAS
54798-91-3- PubChem CID
- 600228
- DTXSID
DTXSID70970140- Nikkaji
- J127.117B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Melting point
- 55 · 55-57 °C
- Boiling point
- 112 · 112-113 °C(Press: 2 Torr)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- pka
- 13.76 · 13.76±0.20(Predicted)
Chemistry & industry
Suppliers6 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
5 records
Compound notes
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