3-(Trifluoromethyl)benzenesulfonyl chloride - CAS 777-44-6
Catalog: |
BB036021 |
Product Name: |
3-(Trifluoromethyl)benzenesulfonyl chloride |
CAS: |
777-44-6 |
Synonyms: |
3-(trifluoromethyl)benzenesulfonyl chloride |
IUPAC Name: | 3-(trifluoromethyl)benzenesulfonyl chloride |
Description: | 3-(Trifluoromethyl)benzenesulfonyl chloride (CAS# 777-44-6) is a compound useful in organic synthesis. |
Molecular Weight: | 244.62 |
Molecular Formula: | C7H4ClF3O2S |
Canonical SMILES: | C1=CC(=CC(=C1)S(=O)(=O)Cl)C(F)(F)F |
InChI: | InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-2-5(4-6)7(9,10)11/h1-4H |
InChI Key: | ONCAZCNPWWQQMW-UHFFFAOYSA-N |
Boiling Point: | 88-90 °C (6 mmHg) |
Density: | 1.526 g/cm3 |
MDL: | MFCD00014724 |
LogP: | 3.71370 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.9572627 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.9572627 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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