5-Chloro-2-methylbenzenesulfonyl Chloride - CAS 34981-38-9
Catalog: |
BB022385 |
Product Name: |
5-Chloro-2-methylbenzenesulfonyl Chloride |
CAS: |
34981-38-9 |
Synonyms: |
5-chloro-2-methylbenzenesulfonyl chloride; 5-chloro-2-methylbenzenesulfonyl chloride |
IUPAC Name: | 5-chloro-2-methylbenzenesulfonyl chloride |
Description: | 5-Chloro-2-methylbenzenesulfonyl Chloride (CAS# 34981-38-9) is a useful research chemical. |
Molecular Weight: | 225.09 |
Molecular Formula: | C7H6Cl2O2S |
Canonical SMILES: | CC1=C(C=C(C=C1)Cl)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H6Cl2O2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,1H3 |
InChI Key: | VHBFBNCERXCECQ-UHFFFAOYSA-N |
Boiling Point: | 314.9 °C at 760 mmHg |
Density: | 1.458 g/cm3 |
Appearance: | Pale yellow liquid |
MDL: | MFCD09742738 |
LogP: | 3.65670 |
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 |
EP-3712143-A1 | Quinazolinone compound and application thereof | 20171113 |
US-2020317660-A1 | Quinazolinone Compound and Application Thereof | 20171113 |
CA-3033461-A1 | Heterocyclic compound | 20160810 |
CN-109790122-A | Heterocyclic compound | 20160810 |
EP-3498693-A1 | Heterocyclic compound | 20160810 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.9465560 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.9465560 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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