[4-(Benzylsulfanyl)phenyl]methanol
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Basic information
- CAS
3448-98-4- Standard SMILES
OCc1ccc(SCc2ccccc2)cc1- InChIKey
QRLABRQRPREVFF-UHFFFAOYSA-N- Molecular formula
- C14H14OS
- Average molar mass
- 230.33 g/mol
- Monoisotopic mass
- 230.07653624
Names & identifiers
- Preferred name
- [4-(Benzylsulfanyl)phenyl]methanol
- IUPAC
- (4-benzylsulfanylphenyl)methanol
- English name
- (4-(benzylthio)phenyl)methanol
- Molecular formula
- C14H14OS
- Molecular weight
- 230.33
Names & synonyms
[4-(benzylsulfanyl)phenyl]methanol3448-98-4(4-(benzylsulfanyl)phenyl)methanolRefChem:402172829-932-3(4-(benzylthio)phenyl)methanol(4-benzylsulfanylphenyl)methanolSCHEMBL710484QRLABRQRPREVFF-UHFFFAOYSA-N(4-benzylsulfanyl-phenyl)-methanolDAA44898MFCD18890899
Show more names
4-(benzylsulfanyl)phenyl]methanolBenzenemethanol, 4-[(phenylmethyl)thio]-
AKOS013127296DA-31992EN300-132429G59936Z1157826761
Database identifiers
- CAS
3448-98-4- PubChem CID
- 4349993
- EC Number
- 829-932-3
- Nikkaji
- J2.361.209G
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H312-H319-H315-H302-H332
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H312-H319-H315-H302-H332
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
4 records
Compound notes
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