3-Fluorobenzenesulfonyl chloride - CAS 701-27-9
Catalog: |
BB034080 |
Product Name: |
3-Fluorobenzenesulfonyl chloride |
CAS: |
701-27-9 |
Synonyms: |
3-fluorobenzenesulfonyl chloride |
IUPAC Name: | 3-fluorobenzenesulfonyl chloride |
Description: | 3-Fluorobenzenesulfonyl chloride (CAS# 701-27-9) is used in the synthesis of benzenesulfonamido benzamide derivatives as inhibitors of the apical sodium-dependent bile salt transporter (ASBT). |
Molecular Weight: | 194.61 |
Molecular Formula: | C6H4ClFO2S |
Canonical SMILES: | C1=CC(=CC(=C1)S(=O)(=O)Cl)F |
InChI: | InChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4H |
InChI Key: | OKYSUJVCDXZGKE-UHFFFAOYSA-N |
Boiling Point: | 231-232 °C (lit.) |
Melting Point: | 7 °C |
Purity: | 95 % |
Density: | 1.463 g/cm3 |
Appearance: | Clear colorless to yellow-orange liquid |
MDL: | MFCD00042286 |
LogP: | 2.83400 |
GHS Hazard Statement: | H302 (41.77%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113185435-A | Method for preparing beta-carbonyl sulfone compound by using half-sandwich iridium complex | 20210426 |
CN-113121467-A | Benzothiazole derivative and medical application thereof | 20210420 |
CN-113024514-A | Aminodithioformate compound, preparation method thereof, pharmaceutical composition and application thereof | 20210326 |
CN-112898223-A | 1,3, 4-oxadiazole compound containing sulfonate/carboxylate structure and preparation method and application thereof | 20210201 |
CN-112608275-A | Application of 2, 8-bis (trifluoromethyl) -4-hydroxyquinoline derivative in preparation and prevention and treatment of agricultural diseases | 20201229 |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.9604564 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.9604564 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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