Basic information
- CAS
33046-48-9- Standard SMILES
O=C(CSc1ccc([N+](=O)[O-])cc1)c1ccccc1- InChIKey
MSDOBISTMBKIFE-UHFFFAOYSA-N- Molecular formula
- C14H11NO3S
- Average molar mass
- 273.31 g/mol
- Monoisotopic mass
- 273.04596439
Names & identifiers
- Preferred name
- Acetophenone, 2-((p-nitrophenyl)thio)-
- IUPAC
- 2-(4-nitrophenyl)sulfanyl-1-phenylethanone
- English name
- α-(4-Nitrophenylthio)acetophenone
- Molecular formula
- C14H11NO3S
- Molecular weight
- 273.31
Names & synonyms
33046-48-9ACETOPHENONE, 2-((p-NITROPHENYL)THIO)-8AT9NT5GRCNSC-103612Ethanone, 2-((4-nitrophenyl)thio)-1-phenyl-Ethanone, 2-[(4-nitrophenyl)thio]-1-phenyl-DTXSID70186704Acetophenone, 2-[(p-nitrophenyl)thio]-2-((4-Nitrophenyl)thio)-1-phenylethanone2-[(4-nitrophenyl)thio]-1-phenylethanoneRefChem:1075908DTXCID70109195
Show more names
α-(4-Nitrophenylthio)acetophenone2-(4-NITROPHENYLTHIO)ACETOPHENONEα-[(4-Nitrophenyl)thio]acetophenone
p-NitrophenylthioacetophenoneMLS002703777NSC 103612BRN 22835632-[(4-nitrophenyl)sulfanyl]-1-phenylethan-1-onealpha-(4-Nitrophenylthio)acetophenoneNSC103612WLN: WNR DS1VR
Database identifiers
- CAS
33046-48-9- PubChem CID
- 36307
- DTXSID
DTXSID70186704- ChEMBL
CHEMBL1890683- UNII
- 8AT9NT5GRC
- EC Number
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Melting point
- 139 °C · 139 °C(Solv: acetone (67-64-1); water (7732-18-5))
- Boiling point
- 449.8 · 449.8±30.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H400-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501-P280-P305+P351+P338-P310
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05,GHS09
- Hazard statements
- H318-H315-H400-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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