Basic information
- CAS
1556789-81-1- Standard SMILES
CS(=O)(=O)c1ccc(OCC(F)F)c(N)c1- InChIKey
DLQRSXAXJGYNAK-UHFFFAOYSA-N- Molecular formula
- C9H11F2NO3S
- Average molar mass
- 251.25 g/mol
- Monoisotopic mass
- 251.04277071
Names & identifiers
- Preferred name
- 2-(2,2-Difluoroethoxy)-5-methanesulfonylaniline
- IUPAC
- 2-(2,2-difluoroethoxy)-5-methylsulfonylaniline
- English name
- 2-(2,2-difluoroethoxy)-5-methanesulfonylaniline
- Molecular formula
- C9H11F2NO3S
- Molecular weight
- 251.25
Names & synonyms
2-(2,2-difluoroethoxy)-5-methanesulfonylaniline1556789-81-1RefChem:451658996-708-02-(2,2-difluoroethoxy)-5-methylsulfonylanilineGMC78981AKOS020986362EN300-222226Z1532732777Benzenamine, 2-(2,2-difluoroethoxy)-5-(methylsulfonyl)-
Database identifiers
- CAS
1556789-81-1- PubChem CID
- 82003808
- EC Number
- 996-708-0
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Boiling point
- 432 · 432.0±45.0 °C(Predicted)
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- pka
- 2.39 · 2.39±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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, 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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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