Basic information
- CAS
24906-75-0- Standard SMILES
Nc1ccccc1S(=O)(=O)C(F)F- InChIKey
SNDCVGFGRZLIDQ-UHFFFAOYSA-N- Molecular formula
- C7H7F2NO2S
- Average molar mass
- 207.2 g/mol
Names & identifiers
- Preferred name
- 2-Difluoromethanesulfonylaniline
- IUPAC
- 2-(difluoromethylsulfonyl)aniline
- English name
- 2-[(Difluoromethyl)sulfonyl]aniline hydrochloride
- Molecular formula
- C7H7F2NO2S
- Molecular weight
- 207.2
Names & synonyms
2-difluoromethanesulfonylanilineRefChem:471303863-855-62-[(difluoromethyl)sulfonyl]aniline2-((difluoromethyl)sulfonyl)aniline2-(difluoromethylsulfonyl)anilineMFCD00521859Benzenamine, 2-[(difluoromethyl)sulfonyl]-MLS000767378SCHEMBL1000354CHEMBL1706459HMS2790N06
Show more names
2-(difluoromethylsulfonyl)benzenamine2-[(Difluoromethyl)sulfonyl]aniline HCl
STK530345AKOS000122892AT388532-(Difluoro-methanesulfonyl)-phenylamine2-[(Difluoromethyl)Sulfonyl]-BenzenamineSMR000429709SY168762EN300-31819
Database identifiers
- CAS
24906-75-0- PubChem CID
- 710593
- ChEMBL
CHEMBL1706459- EC Number
- 863-855-6
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 260
Experimental & physicochemical properties
Solubility28.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 65 · 65-66 °C
- Boiling point
- 361.5 · 361.5±42.0 °C(Predicted)
- Density
- 1.431 · 1.431±0.06 g/cm3(Predicted)
- pka
- -1.9 · -1.90±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H335-H302-H315-H332-H319
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H335-H302-H315-H332-H319
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Applications
Uses2-Difluoromethanesulfonylaniline can be used as protein kinase inhibitors for treating proliferative disorders, immune disorders, and infections.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
上海硅兰医药科技有限公司17301772648; 17301772648 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
陕西西化化学工业有限公司18161915376 · [email protected]
Related reactions
2 records
Compound notes
Loading…