Basic information
- Standard SMILES
CN(C)C=O.NS(=O)(=O)c1ccc(C(=O)Cl)cc1- InChIKey
CRGFLVSVHAHYCI-UHFFFAOYSA-N- Molecular formula
- C10H13ClN2O4S
- Average molar mass
- 292.74 g/mol
Names & identifiers
- Preferred name
- CID 44119145
- IUPAC
- N,N-dimethylformamide;4-sulfamoylbenzoyl chloride
- English name
- 4-Sulfamidobenzoyl chloride DMF complex
- Molecular formula
- C10H13ClN2O4S
- Molecular weight
- 292.74
Names & synonyms
1172493-99-0MFCD02094019N,N-dimethylformamide;4-sulfamoylbenzoyl chlorideAKOS037478184CS-0205496N,N-Dimethylformamide 4-sulfamoylbenzoyl chloride4-Sulfamoylbenzoyl chloride - N,N-dimethylformamide (1:1)CID 441191454-Sulfamidobenzoyl chloride DMF complex4-SULPHAMIDOBENZOYL CHLORIDE DMF COMPLEX4-SulfamidobenzoylchlorideDMFcomplex,95%4-(Aminosulfonyl)benzoyl chloride DMF complex
Show more names
4-(Aminosulphonyl)benzoylchlorideDMFcomplex95%4-(Aminosulphonyl)benzoyl chloride DMF complex4-SULPHAMIDOBENZOYL CHLORIDE N,N-DIMETHYLFORMAMIDE
Database identifiers
- CAS
1172493-99-0
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- form
- Solid
- Water Solubility
- Decomposes in water.
- Sensitive
- Moisture Sensitive
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Warning
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · 3261
- Hazard Note
- Corrosive
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 2935909099 · 2935909099
Safety & regulation
Safety data
- ridadr
- 3261
- hs_code
- 2935909099
- risk_code
- 34
- Signal word
- Warning
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H318
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesIt was used in the discovery of 2-Phenyl-3-sulfonylphenyl-indole derivatives as a new class of selective COX-2 inhibitors and in the synthesis and biological evaluation of substituted 2-sulfonyl-phenyl-3-phenyl-indoles: a new series of selective COX-2 inhibitors.
Upstream & downstream products
Upstream raw materials
Suppliers5 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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