Basic information
- CAS
71501-40-1- Standard SMILES
OCCSCc1ccc(Cl)cc1- InChIKey
DKNBCVYGWWWYEP-UHFFFAOYSA-N- Molecular formula
- C9H11ClOS
- Average molar mass
- 202.7 g/mol
- Monoisotopic mass
- 202.0219138
Names & identifiers
- Preferred name
- 2-(((4-Chlorophenyl)methyl)thio)ethanol
- IUPAC
- 2-[(4-chlorophenyl)methylsulfanyl]ethanol
- English name
- 4-CHLOROBENZYL 2-HYDROXYETHYL SULFIDE
- Molecular formula
- C9H11ClOS
- Molecular weight
- 202.7
Names & synonyms
71501-40-12-(((4-Chlorophenyl)methyl)thio)ethanol2-p-ChlorobenzylthioethanolEthanol, 2-(p-chlorobenzylthio)-EINECS 275-568-82-[[(4-chlorophenyl)methyl]thio]ethanolRefChem:249071275-568-82-[(4-chlorophenyl)methylsulfanyl]ethanol4-CHLOROBENZYL 2-HYDROXYETHYL SULFIDE2-((4-Chlorobenzyl)thio)ethan-1-ol2-((4-Chlorobenzyl)thio)ethanol
Show more names
2-(p-chlorobenzylthio)-ethano2-(4-Chlorobenzylthio)ethanolP-CHLOROBENZYL 2-HYDROXYETHYL SULFIDE4-CHLOROBENZYL 2-HYDROXYETHYL SULPHIDEEthanol, 2-[[(4-chlorophenyl)methyl]thio]-
2-{[(4-chlorophenyl)methyl]sulfanyl}ethan-1-olSCHEMBL1148887DTXSID30991972DKNBCVYGWWWYEP-UHFFFAOYSA-N2-[(4-chlorobenzyl)sulfanyl]ethanolAKOS0089674452-[(4-chlorophenyl)methylthio]ethan-1-olCS-0455176
Database identifiers
- CAS
71501-40-1- PubChem CID
- 198536
- DTXSID
DTXSID30991972- EC Number
- 275-568-8
- Nikkaji
- J92.948D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Boiling point
- 139 · 139-140°C 1mm
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- refractive index
- 1.5855 · 1.5855
- Flash point
- 139 · 139-140°C/1mm
- pka
- 14.45 · 14.45±0.10(Predicted)
- BRN
- 8975850 · 8975850
- CAS DataBase Reference
- 71501 · 71501-40-1
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
- RTECS
- 1150000 · KK1150000
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 (90.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (90.5%)
Safety data
- rtecs
- KK1150000
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Chemistry & industry
Suppliers8 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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