Benzenesulfonyl fluoride, 4-methyl-3-nitro-
Basic information
- CAS
1535-47-3- Standard SMILES
Cc1ccc(S(=O)(=O)F)cc1[N+](=O)[O-]- InChIKey
SBXIZNYNBRPFDU-UHFFFAOYSA-N- Molecular formula
- C7H6FNO4S
- Average molar mass
- 219.19 g/mol
- Monoisotopic mass
- 219.00015701
Names & identifiers
- Preferred name
- Benzenesulfonyl fluoride, 4-methyl-3-nitro-
- IUPAC
- 4-methyl-3-nitrobenzenesulfonyl fluoride
- English name
- 4-Methyl-3-nitrobenzenesulfonyl fluoride
- Molecular formula
- C7H6FNO4S
- Molecular weight
- 219.19
Names & synonyms
1535-47-3Benzenesulfonyl fluoride, 4-methyl-3-nitro-DTXSID70309032RefChem:325636DTXCID102601584-methyl-3-nitrobenzenesulfonyl fluoride4-methyl-3-nitrobenzene-1-sulfonyl fluoride4-methyl-3-nitro-benzenesulfonyl fluorideNSC210839MFCD00089993AKOS024336113NSC-210839
Show more names
4-methyl-3-nitrobenzene-1-sulfonylfluorideCS-0350843EN300-224440
Database identifiers
- CAS
1535-47-3- PubChem CID
- 308773
- DTXSID
DTXSID70309032- EC Number
- 664-886-6
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 43 · 43-48°C
- Boiling point
- 299.3 · 299.3±33.0 °C(Predicted)
- Density
- 1.478 · 1.478±0.06 g/cm3(Predicted)
- Flash point
- 110 ℃ · >110℃
- storage temp.
- Store at room temperature
- Appearance
- Brown to khaki Solid
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- RIDADR
- 3261 · UN 3261 8 / PGII
- WGK Germany
- 3 · 3
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3261 8 / PGII
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Suppliers
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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