Basic information
- CAS
123343-99-7- Standard SMILES
CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1F- InChIKey
UDWKPLLNAQEMPI-UHFFFAOYSA-N- Molecular formula
- C7H7FN2O4S
- Average molar mass
- 234.21 g/mol
- Monoisotopic mass
- 234.01105592
Names & identifiers
- Preferred name
- N-(2-fluoro-5-nitrophenyl)methanesulfonamide
- IUPAC
- N-(2-fluoro-5-nitrophenyl)methanesulfonamide
- English name
- N-(2-Fluoro-5-nitrophenyl)methanesulfonamide
- Molecular formula
- C7H7FN2O4S
- Molecular weight
- 234.2
Names & synonyms
N-(2-fluoro-5-nitrophenyl)methanesulfonamide123343-99-7MFCD01213923Methanesulfonamide, N-(2-fluoro-5-nitrophenyl)-N-(2-fluoro-5-nitro-phenyl)methanesulfonamideOprea1_557081SCHEMBL7869881DTXSID50403042UDWKPLLNAQEMPI-UHFFFAOYSA-NSBB098231AKOS0039800312'-fluoro-5'-nitromethanesulfonanilide
Show more names
AD-0746SB76927(2-fluoro-5-nitrophenyl)(methylsulfonyl)amineG82597
Database identifiers
- CAS
123343-99-7- PubChem CID
- 4416401
- DTXSID
DTXSID50403042
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Melting point
- 163 · 163-165°
- Boiling point
- 348.2 · 348.2±52.0 °C(Predicted)
- Density
- 1.604 · 1.604±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 5.96 · 5.96±0.10(Predicted)
- Appearance
- Light yellow to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers8 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
16 records
Compound notes
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