Benzene, 1-methyl-2-(phenylthio)-
Basic information
- CAS
13963-35-4- Standard SMILES
Cc1ccccc1Sc1ccccc1- InChIKey
KXCVWFIROSGRRF-UHFFFAOYSA-N- Molecular formula
- C13H12S
- Average molar mass
- 200.3 g/mol
- Monoisotopic mass
- 200.06597156
Names & identifiers
- Preferred name
- Benzene, 1-methyl-2-(phenylthio)-
- IUPAC
- 1-methyl-2-phenylsulfanylbenzene
- English name
- 2-METHYL DIPHENYL SULFIDE
- Molecular formula
- C13H12S
- Molecular weight
- 200.3
Names & synonyms
13963-35-4Benzene, 1-methyl-2-(phenylthio)-1-methyl-2-(phenylthio)benzeneDTXSID30161133RefChem:117322DTXCID0083624InChI=1/C13H12S/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-10H,1H2-Methyl diphenyl sulfidephenyl(o-tolyl)sulfane1-methyl-2-phenylsulfanylbenzene1-methyl-2-(phenylsulfanyl)benzenephenyl o-tolyl sulfide
Show more names
2-METHYL DIPHENYL SU2-Methyldlphenylsulfide2-METHYL DIPHENYL SULFIDE 98%MIN2-Methyldiphenylsulfide in isooctane
2-METHYLDIPHENYLSULFIDESCHEMBL467564SCHEMBL2876479SCHEMBL2944523SCHEMBL5685707SCHEMBL11148751SCHEMBL11172355SCHEMBL29580858
Database identifiers
- CAS
13963-35-4- PubChem CID
- 139652
- DTXSID
DTXSID30161133- EC Number
- 802-818-0
- Nikkaji
- J1.137.914A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 298.04 °C · 298.04°C (rough estimate)
- Density
- 1.0893 · 1.0893
- refractive index
- 1.617 · 1.6170 (estimate)
- CAS DataBase Reference
- 13963 · 13963-35-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H410
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-P501
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]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H410
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses2-Methyl Diphenyl Sulfide is used in the preparation of aryl halides.
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…