Basic information
- CAS
27683-60-9- Standard SMILES
OC(c1ccccc1Cl)C(Cl)Cl- InChIKey
AYYZONLKSDKVIZ-UHFFFAOYSA-N- Molecular formula
- C8H7Cl3O
- Average molar mass
- 225.5 g/mol
- Monoisotopic mass
- 223.956248
Names & identifiers
- Preferred name
- 2,2-Dichloro-1-(2-chlorophenyl) ethanol
- IUPAC
- 2,2-dichloro-1-(2-chlorophenyl)ethanol
- English name
- 2,2-Dichloro-1-(2-chlorophenyl)-1-ethanol
- Molecular formula
- C8H7Cl3O
- Molecular weight
- 225.5
Names & synonyms
27683-60-92,2-dichloro-1-(2-chlorophenyl)ethanolHSDB 28301O5KW1KM6NBenzenemethanol, 2-chloro-alpha-(dichloromethyl)-EINECS 248-601-9o-Chloro-alpha-(dichloromethyl)benzyl alcohol1-(2-CHLOROPHENYL)-2,2-DICHLOROETHANOLBenzyl alcohol, o-chloro-alpha-(dichloromethyl)-2,2-DICHLORO-1-(2-CHLOROPHENYL) ETHANOLBenzyl alcohol, o-chloro-.alpha.-(dichloromethyl)-Benzenemethanol, 2-chloro-.alpha.-(dichloromethyl)-
Show more names
2,2-Dichloro-1-(2-chlorophenyl)-1-ethanol2-chloro-α-(dichloromethyl)benzyl alcohol2,2-Dichloro-1-(2-chlorophenyl)ethan-1-ol2-Chloro-α-(dichloromethyl)benzenemethanolBenzenemethanol, 2-chloro-α-(dichloromethyl)-2-chloro-alpha-(dichloromethyl)benzyl alcohol
(O-CHLOROPHENYL)DICHLOROMETHYL CARBINOLO-CHLORO-.ALPHA.-(DICHLOROMETHYL)BENZYL ALCOHOL2,2-DICHLORO-1-(2-CHLOROPHENYL) ETHANOL [HSDB]RefChem:4408822Chloroalpha(dichloromethyl)benzyl alcoholoChloroalpha(dichloromethyl)benzyl alcoholBenzyl alcohol, ochloroalpha(dichloromethyl)Benzenemethanol, 2chloroalpha(dichloromethyl)
Database identifiers
- CAS
27683-60-9- PubChem CID
- 33982
- DTXSID
DTXSID50950344- UNII
- 1O5KW1KM6N
- EC Number
- 248-601-9
- Nikkaji
- J250.571A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Alcohols
Physicochemical properties
- Boiling point
- 126 · 126-129 °C(Press: 3 Torr)
- Density
- 1.4312 g/cm3 · 1.4312 g/cm3
- pka
- 11.91 · 11.91±0.20(Predicted)
- InChI
- InChI=1S/C8H7Cl3O/c9-6-4-2-1-3-5(6)7(12)8(10)11/h1-4,7-8,12H
- InChIKey
- AYYZONLKSDKVIZ-UHFFFAOYSA-N
- SMILES
- C(Cl)(Cl)C(C1=CC=CC=C1Cl)O
- FDA UNII
- 1 O5KW1KM6N · 1O5KW1KM6N
- Hazardous Substances Data
- 27683 · 27683-60-9(Hazardous Substances Data)
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
- Hazardous Substances Data
- 27683-60-9(Hazardous Substances Data)
Chemistry & industry
Suppliers10 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海悦耳化学品有限公司+86-021-50890968，021-50891159 +86-18601776121 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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