Basic information
- CAS
37984-02-4- Standard SMILES
O=[N+]([O-])c1cccc(Sc2ccccc2)c1- InChIKey
LHVHVBIVNJWKDK-UHFFFAOYSA-N- Molecular formula
- C12H9NO2S
- Average molar mass
- 231.27 g/mol
- Monoisotopic mass
- 231.03539953
Names & identifiers
- Preferred name
- 1-Nitro-3-(phenylsulfanyl)benzene
- IUPAC
- 1-nitro-3-phenylsulfanylbenzene
- English name
- 3-NITROPHENYLPHENYLSULFIDE
- Molecular formula
- C12H9NO2S
- Molecular weight
- 231.27
Names & synonyms
1-nitro-3-(phenylsulfanyl)benzene37984-02-4DTXSID40958970RefChem:435057DTXCID501386862898-730-5(3-Nitrophenyl)(phenyl)sulfane1-nitro-3-phenylsulfanylbenzene3-NITROPHENYLPHENYLSULFIDE3-nitrophenyl phenyl sulfideC12H9NO2SSulfide, m-nitrophenyl phenyl
Show more names
3-Nitrodiphenyl SulfideBenzene, 1-nitro-3-(phenylthio)-
m-Nitrophenyl phenyl sulfideSulfide, m-nitrophenyl phenyl,SCHEMBL2887765LHVHVBIVNJWKDK-UHFFFAOYSA-NMBA98402MFCD00096275AKOS030582937CS-0256390
Database identifiers
- CAS
37984-02-4- PubChem CID
- 142232
- DTXSID
DTXSID40958970- EC Number
- 898-730-5
- Nikkaji
- J919.870I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 42.5 °C · 42.5 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 374.2 · 374.2±25.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
2 records
Compound notes
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