5-Fluoro-2-methylbenzenesulfonyl chloride - CAS 445-05-6
Catalog: |
BB025630 |
Product Name: |
5-Fluoro-2-methylbenzenesulfonyl chloride |
CAS: |
445-05-6 |
Synonyms: |
5-fluoro-2-methylbenzenesulfonyl chloride |
IUPAC Name: | 5-fluoro-2-methylbenzenesulfonyl chloride |
Description: | 5-Fluoro-2-methylbenzenesulfonyl chloride (CAS# 445-05-6) is a useful research chemical. |
Molecular Weight: | 208.64 |
Molecular Formula: | C7H6ClFO2S |
Canonical SMILES: | CC1=C(C=C(C=C1)F)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H6ClFO2S/c1-5-2-3-6(9)4-7(5)12(8,10)11/h2-4H,1H3 |
InChI Key: | NPEWBMJAUUSBLE-UHFFFAOYSA-N |
Boiling Point: | 131-172 °C (15 torr) |
Density: | 130 g/cm3 |
Appearance: | Clear colorless to yellow liquid |
MDL: | MFCD00052958 |
LogP: | 3.14240 |
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 |
Publication Number | Title | Priority Date |
WO-2021165346-A1 | Gcn2 modulator compounds | 20200217 |
WO-2020210828-A1 | (aza)indazolyl-aryl sulfonamide and related compounds and their use in treating medical conditions | 20190412 |
WO-2020148703-A1 | Compounds and compositions for the treatment of cystic fibrosis | 20190116 |
US-2020317660-A1 | Quinazolinone Compound and Application Thereof | 20171113 |
CN-105950093-A | Preparation method of graphene-based high-temperature bonding agent | 20160621 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.9761065 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.9761065 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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