Basic information
- CAS
270262-96-9- Standard SMILES
O=Cc1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1- InChIKey
VWXMGEQTGZRDOQ-UHFFFAOYSA-N- Molecular formula
- C13H8ClNO3S
- Average molar mass
- 293.73 g/mol
- Monoisotopic mass
- 292.9913418
Names & identifiers
- Preferred name
- 4-[(4-Chlorophenyl)thio]-3-nitrobenzaldehyde
- IUPAC
- 4-(4-chlorophenyl)sulfanyl-3-nitrobenzaldehyde
- English name
- 4-(4-Chlorophenylthio)-3-nitrobenzaldehyde
- Molecular formula
- C13H8ClNO3S
- Molecular weight
- 293.73
Names & synonyms
270262-96-94-((4-chlorophenyl)thio)-3-nitrobenzaldehyde4-[(4-chlorophenyl)thio]-3-nitrobenzaldehydeRefChem:2864004-[(4-chlorophenyl)sulfanyl]-3-nitrobenzaldehyde4-(4-chlorophenylthio)-3-nitrobenzaldehyde4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzenecarbaldehydeMFCD000987734-(4-chlorophenyl)sulfanyl-3-nitrobenzaldehyde4-(4-Chloro-phenylsulfanyl)-3-nitro-benzaldehydeSCHEMBL6930035DTXSID20370959
Show more names
BUTTPARK 153\33-45TIMTEC-BB SBB002344Benzaldehyde, 4-[(4-chlorophenyl)thio]-3-nitro-
SBB002344STL291050AKOS000297209DB-047133CS-03149934-(4-chlorophenyl)sulfanyl-3-nitro-benzaldehyde3X-0717F721239
Database identifiers
- CAS
270262-96-9- PubChem CID
- 2735807
- DTXSID
DTXSID20370959
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 118 · 118-120°C
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety data
- hs_code
- 2930909899
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 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]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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