2-Fluoro-3-methyl-5-nitrobenzene-1-sulfonyl chloride
Basic information
- CAS
1187082-98-9- Standard SMILES
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1F- InChIKey
WUIIDYYCXNRFON-UHFFFAOYSA-N- Molecular formula
- C7H5ClFNO4S
- Average molar mass
- 253.64 g/mol
- Monoisotopic mass
- 252.9611847
Names & identifiers
- Preferred name
- 2-Fluoro-3-methyl-5-nitrobenzene-1-sulfonyl chloride
- IUPAC
- 2-fluoro-3-methyl-5-nitrobenzenesulfonyl chloride
- English name
- 2-Fluoro-3-methyl-5-nitrobenzene-1-sulfonyl Chloride
- Molecular formula
- C7H5ClFNO4S
- Molecular weight
- 253.64
Names & synonyms
2-fluoro-3-methyl-5-nitrobenzene-1-sulfonyl chloride1187082-98-9RefChem:472253108-895-02-fluoro-3-methyl-5-nitrobenzenesulfonyl chlorideMFCD22369839SCHEMBL4000757WUIIDYYCXNRFON-UHFFFAOYSA-NMXB08298CS-02305373-chlorosulfonyl-4-fluoro-5-methylnitrobenzeneEN300-104368
Show more names
Benzenesulfonyl chloride, 2-fluoro-3-methyl-5-nitro-
2-fluoro-3-methyl-5-nitro-benzenesulfonyl chloride2-fluoro-3-methyl-5-nitrobenzene-1-sulfonylchloride
Database identifiers
- CAS
1187082-98-9- PubChem CID
- 57562880
- EC Number
- 108-895-0
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
- 15
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Boiling point
- 359.4 · 359.4±42.0 °C(Predicted)
- Density
- 1.601 · 1.601±0.06 g/cm3(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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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
Related reactions
17 records
Compound notes
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