3,5-Dimethylbenzenesulfonyl chloride - CAS 2905-27-3
Catalog: |
BB020067 |
Product Name: |
3,5-Dimethylbenzenesulfonyl chloride |
CAS: |
2905-27-3 |
Synonyms: |
3,5-dimethylbenzenesulfonyl chloride |
IUPAC Name: | 3,5-dimethylbenzenesulfonyl chloride |
Description: | 3,5-Dimethylbenzenesulfonyl chloride (CAS# 2905-27-3) is a useful research chemical. |
Molecular Weight: | 204.67 |
Molecular Formula: | C8H9ClO2S |
Canonical SMILES: | CC1=CC(=CC(=C1)S(=O)(=O)Cl)C |
InChI: | InChI=1S/C8H9ClO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3 |
InChI Key: | LSAGRAXLOLZVKO-UHFFFAOYSA-N |
Boiling Point: | 302.3 °C at 760 mmHg |
Density: | 1.29 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03094655 |
LogP: | 3.31170 |
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 |
CN-111253360-A | Preparation method of cyclic carbonate | 20200331 |
WO-2021165346-A1 | Gcn2 modulator compounds | 20200217 |
WO-2021094974-A1 | Heterocyclic trpml1 agonists | 20191113 |
CN-110452146-A | Trifluoromethyl seleno-amino acids derivative and preparation method thereof | 20190829 |
CN-109897088-A | Phenylalanine derivative and the preparation method and application thereof containing N- (2- oxoethyl) benzsulfamide | 20190319 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.0011784 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.0011784 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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