Basic information
- CAS
83846-85-9- Standard SMILES
Cc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1- InChIKey
DBHQYYNDKZDVTN-UHFFFAOYSA-N- Molecular formula
- C20H16OS
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.0921863
Names & identifiers
- Preferred name
- Methanone, (4-((4-methylphenyl)thio)phenyl)phenyl-
- IUPAC
- [4-(4-methylphenyl)sulfanylphenyl]-phenylmethanone
- English name
- 4-(4-Methylphenylthio)benzophenone
- Molecular formula
- C20H16OS
- Molecular weight
- 304.41
Names & synonyms
83846-85-94-(4-Methylphenylthio)benzophenone4-benzoyl-4'-methyldiphenyl sulfideMethanone, [4-[(4-methylphenyl)thio]phenyl]phenyl-EINECS 281-064-9DTXSID10888614Methanone, (4-((4-methylphenyl)thio)phenyl)phenyl-RefChem:811653DTXCID901027890Methanone, 4-(4-methylphenyl)thiophenylphenyl-281-064-9Phenyl(4-(p-tolylthio)phenyl)methanone
Show more names
OMNIRAD BMSAPi-BMSYF-PI BMSIHT-PI BMSSYNCURE BMSKayacure BMSSPEEDCURE BMSSPEEDCURE BMDSQuantacure BMSQuantacure DMS
4-(p-Tolylthio)benzophenone4-Benzoyl 4'-Methyldiphenyl Sulfide{4-[(4-methylphenyl)sulfanyl]phenyl}(phenyl)methanone[4-(4-methylphenyl)sulfanylphenyl]-phenylmethanone4-Methyl-4'-benzoyldiphenyl sulfideMFCD00055651{4-[(4-Methylphenyl)thio]phenyl}(phenyl)methanonePhenyl (p-tolylthio)phenyl ketone
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Melting point
- 73 °C · 73 °C
- Boiling point
- 477.8 · 477.8±28.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Water Solubility
- 7.38 μg/L · 7.38μg/L at 20℃
- InChI
- InChI=1S/C20H16OS/c1-15-7-11-18(12-8-15)22-19-13-9-17(10-14-19)20(21)16-5-3-2-4-6-16/h2-14H,1H3
- InChIKey
- DBHQYYNDKZDVTN-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(SC2=CC=C(C)C=C2)C=C1)(C1=CC=CC=C1)=O
- LogP
- 5.89 at · 5.89 at 30℃
- CAS DataBase Reference
- 83846 · 83846-85-9(CAS DataBase Reference)
Safety & regulation
GHS classification
GHS Classification
Warning
H302+H312 (45.9%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P261, P264, P264+P265, P270, P271, P273, 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)
Aggregated GHS information provided per 61 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Methanone, [4-[(4-methylphenyl)thio]phenyl]phenyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 4-(4-methylphenylthio)benzophenone (EC: 281-064-9)
Methanone, 4-(4-methylphenyl)thiophenylphenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (77%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2930909899
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-26-36/37/39
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanone, [4-[(4-methylphenyl)thio]phenyl]phenyl-: ACTIVE
Applications
UsesA reagent for high performance polymer research.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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