Basic information
- CAS
7401-37-8- Standard SMILES
O=CCSCc1ccccc1- InChIKey
DVXJHLBTPJVZEA-UHFFFAOYSA-N- Molecular formula
- C9H10OS
- Average molar mass
- 166.24 g/mol
- Monoisotopic mass
- 166.04523611
Names & identifiers
- Preferred name
- 2-(Benzylsulfanyl)acetaldehyde
- IUPAC
- 2-benzylsulfanylacetaldehyde
- English name
- 2-(benzylsulfanyl)acetaldehyde
- Molecular formula
- C9H10OS
- Molecular weight
- 166.24
Names & synonyms
2-(benzylsulfanyl)acetaldehydeRefChem:459804856-720-8(benzylsulfanyl)acetaldehyde7401-37-82-benzylsulfanylacetaldehyde2-(benzylthio)acetaldehydeNSC54607SCHEMBL5385519SCHEMBL8938655DTXSID90288178DVXJHLBTPJVZEA-UHFFFAOYSA-N
Show more names
Modafinil Impurity 1Barbital Impurity 3 (Narcobarbital)Acetaldehyde, 2-[(phenylmethyl)thio]-
HAA40137MFCD16096691NSC-54607AKOS011008913SY155215CS-0234493EN300-142424Z854102762
Database identifiers
- CAS
7401-37-8- PubChem CID
- 244080
- DTXSID
DTXSID90288178- EC Number
- 856-720-8
- Nikkaji
- J1.746.721B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Boiling point
- 125.5 · 125.5-127 °C(Press: 6 Torr)
- Density
- 1.1105 g/cm3 · 1.1105 g/cm3(Temp: 22 °C)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H319-H302-H315-H335-H332
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
Safety & regulation
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
- H312-H319-H302-H315-H335-H332
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
Chemistry & industry
Suppliers5 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
卡托研究化学公司+86-020-81960175-877 4000-868-328;4000-868-328 · [email protected]
Related reactions
1 records
Compound notes
Loading…