Basic information
- Standard SMILES
O=Cc1ccc(SC2CCCCC2)c([N+](=O)[O-])c1- InChIKey
SXIMCYMJTYWOMN-UHFFFAOYSA-N- Molecular formula
- C13H15NO3S
- Average molar mass
- 265.33 g/mol
- Monoisotopic mass
- 265.07726434
Names & identifiers
- Preferred name
- 4-(Cyclohexylthio)-3-nitrobenzaldehyde
- IUPAC
- 4-cyclohexylsulfanyl-3-nitrobenzaldehyde
- English name
- 4-(CYCLOHEXYLTHIO)-3-NITROBENZALDEHYDE
- Molecular formula
- C13H15NO3S
- Molecular weight
- 265.33
Names & synonyms
270262-95-84-(Cyclohexylthio)-3-nitrobenzaldehyde4-(Cyclohexylsulfanyl)-3-nitrobenzenecarbaldehyde4-cyclohexylsulfanyl-3-nitrobenzaldehyde4-(cyclohexylsulfanyl)-3-nitrobenzaldehydeMFCD000987724-cyclohexylthio-3-nitrobenzaldehydeDTXSID20381606JS-168CSBB059014AKOS0050730024-cyclohexylsulfanyl-3-nitro-benzaldehyde
Show more names
Benzaldehyde, 4-(cyclohexylthio)-3-nitro-
DB-026141CS-0360162ST51043315
Database identifiers
- CAS
270262-95-8- PubChem CID
- 2779985
- DTXSID
DTXSID20381606
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Melting point
- 98 · 98-99
- Boiling point
- 411.9 · 411.9±40.0 °C(Predicted)
- Density
- 1.26 · 1.26±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
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety data
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
Loading…