Alpha,alpha-bis(phenylthio)toluene
Basic information
- CAS
7695-69-4- Standard SMILES
c1ccc(SC(Sc2ccccc2)c2ccccc2)cc1- InChIKey
GSXZQHRYDJLRRT-UHFFFAOYSA-N- Molecular formula
- C19H16S2
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.06934286
Names & identifiers
- Preferred name
- Alpha,alpha-bis(phenylthio)toluene
- IUPAC
- bis(phenylsulfanyl)methylbenzene
- English name
- bis(phenylsulfanyl)methylbenzene
- Molecular formula
- C19H16S2
- Molecular weight
- 308.46
Names & synonyms
7695-69-4Alpha,alpha-bis(phenylthio)tolueneRefChem:555061667-682-5[bis(phenylsulfanyl)methyl]benzene(Phenylmethylene)bis(phenylsulfane)1-[di(phenylthio)methyl]benzenebis(phenylsulfanyl)methylbenzenePhenylbis(phenylthio)methaneMFCD00092116Methane, phenylbis(phenylthio)-AKOS005438741
Show more names
Benzaldehyde Diphenyl DithioacetalBenzene, 1,1'-[(phenylmethylene)bis(thio)]bis- (9CI)
AS-75987D95439([Phenyl(phenylsulfanyl)methyl]sulfanyl)benzene #1,1'-[(phenylmethanediyl)disulfanediyl]dibenzene[bis(phenylthio)methyl]benzenep-(bisphenylthiomethyl)benzene1,1'-[(phenylmethanediyl)diSCHEMBL6076178
Database identifiers
- CAS
7695-69-4- PubChem CID
- 608010
- EC Number
- 667-682-5
- Nikkaji
- J565.906J
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Melting point
- 52 °C · 52 °C
- Boiling point
- 447.4 · 447.4±38.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- solubility
- soluble in Toluene
- form
- powder to crystal
- color
- White to Almost white
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413
- Precautionary statements
- 501 · P501-P273
- HS Code
- 2930.9 · 2930.90.4391
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
H400 (97.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 CategoriesAquatic Acute 1 (97.4%)
Safety data
- hs_code
- 2930.90.4391
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H413
- Precautionary statements
- P501-P273
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Related reactions
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Compound notes
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