4-Chloro-2-(methylsulfanyl)-1-nitrobenzene
Basic information
- CAS
70019-41-9- Standard SMILES
CSc1cc(Cl)ccc1[N+](=O)[O-]- InChIKey
UGEHZDRDLBACDW-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO2S
- Average molar mass
- 203.65 g/mol
- Monoisotopic mass
- 202.9807773
Names & identifiers
- Preferred name
- 4-Chloro-2-(methylsulfanyl)-1-nitrobenzene
- IUPAC
- 4-chloro-2-methylsulfanyl-1-nitrobenzene
- English name
- 4-Chloro-2-(methylthio)nitrobenzene, 4-Chloro-2-(methylsulphanyl)nitrobenzene, 4-Chloro-2-(methylmercapto)nitrobenzene
- Molecular formula
- C7H6ClNO2S
- Molecular weight
- 203.65
Names & synonyms
70019-41-94-chloro-2-(methylsulfanyl)-1-nitrobenzeneDTXSID903802675-chloro-2-nitrophenyl methyl sulfideRefChem:291453DTXCID30331293UGEHZDRDLBACDW-UHFFFAOYSA-N4-Chloro-2-(methylthio)-1-nitrobenzene(5-chloro-2-nitrophenyl)(methyl)sulfane4-chloro-2-methylsulfanyl-1-nitrobenzeneMFCD000522095-Chloro-2-nitrothioanisole
Show more names
5-Chloro-2-nitrothioanisole 95%Benzene, 4-chloro-2-(methylthio)-1-nitro-4-Chloro-2-(methylthio)nitrobenzene, 4-Chloro-2-(methylsulphanyl)nitrobenzene, 4-Chloro-2-(methylmercapto)nitrobenzene
4-chloro-2-methylsulfanyl-1-nitro-benzeneSCHEMBL2545546SBB0553714-chloro-2-methylthio-1-nitrobenzeneAKOS025116844PS-4314DB-094786CS-0314601
Database identifiers
- CAS
70019-41-9- PubChem CID
- 2776845
- DTXSID
DTXSID90380267- Nikkaji
- J482.651E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- form
- crystalline solid
- color
- Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P271
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280-P271
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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