2-(p-Chlorophenylthio)ethanol
Basic information
- CAS
13457-98-2- Standard SMILES
OCCSc1ccc(Cl)cc1- InChIKey
HHIWVLZQIJUIPJ-UHFFFAOYSA-N- Molecular formula
- C8H9ClOS
- Average molar mass
- 188.67 g/mol
- Monoisotopic mass
- 188.00626359
Names & identifiers
- Preferred name
- 2-(p-Chlorophenylthio)ethanol
- IUPAC
- 2-(4-chlorophenyl)sulfanylethanol
- English name
- 4-CHLOROPHENYL 2-HYDROXYETHYL SULPHIDE
- Molecular formula
- C8H9ClOS
- Molecular weight
- 188.67
Names & synonyms
13457-98-22-((4-Chlorophenyl)thio)ethanol2-(p-Chlorophenylthio)ethanol2-[(4-chlorophenyl)thio]ethanol2-(4-chlorophenylthio)ethanolEthanol, 2-((4-chlorophenyl)thio)-A7N4BK32LTEINECS 236-657-7NSC-17655NSC-569742-Hydroxyethyl p-chlorophenyl sulfideEthanol, 2-[(4-chlorophenyl)thio]-
Show more names
BUTTPARK 146\04-74SALOR-INT L308781-1EA2-((4-Chlorophenyl)thio)ethan-1-ol4-CHLOROPHENYL-2-HYDROXYETHYL SULFIDE4-CHLOROPHENYL 2-HYDROXYETHYL SULPHIDE2-[(4-chlorophenyl)sulfanyl]-1-ethanol4-CHLOROPHENYL-2-HYDROXYETHYL SULFIDE FOP-CHLOROPHENYL 2-HYDROXYETHYL SULFIDE, 99%
AI3-36460P-CHLOROPHENYL 2-HYDROXYETHYL SULFIDEDTXSID50158808NSC 17655NSC 56974Ethanol, 2-[[4-chlorophenyl]thio]-RefChem:461725DTXCID7081299
Database identifiers
- CAS
13457-98-2- PubChem CID
- 83487
- DTXSID
DTXSID50158808- UNII
- A7N4BK32LT
- EC Number
- 236-657-7
- Nikkaji
- J266.759B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Boiling point
- 132 °C · 132 °C(Press: 0.05 Torr)
- Density
- 1.2759 g/cm3 · 1.2759 g/cm3
- storage temp.
- 2 · 2-8°C
- form
- liquid
- pka
- 14.32 · 14.32±0.10(Predicted)
- FDA UNII
- 7 N4BK32LT · A7N4BK32LT
- UNSPSC Code
- 12352104 · 12352104
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
Uses4-Chlorophenyl-2-hydroxyethyl sulfide for synthesis. CAS 13457-98-2, molar mass 188.68g/mol.
Related reactions
4 records
Compound notes
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