4-Chloro-2-nitrobenzenesulfonyl chloride - CAS 4533-96-4
Catalog: |
BB025838 |
Product Name: |
4-Chloro-2-nitrobenzenesulfonyl chloride |
CAS: |
4533-96-4 |
Synonyms: |
4-chloro-2-nitrobenzenesulfonyl chloride |
IUPAC Name: | 4-chloro-2-nitrobenzenesulfonyl chloride |
Description: | 4-Chloro-2-nitrobenzenesulfonyl chloride (CAS# 4533-96-4) is a useful research chemical. |
Molecular Weight: | 256.06 |
Molecular Formula: | C6H3Cl2NO4S |
Canonical SMILES: | C1=CC(=C(C=C1Cl)[N+](=O)[O-])S(=O)(=O)Cl |
InChI: | InChI=1S/C6H3Cl2NO4S/c7-4-1-2-6(14(8,12)13)5(3-4)9(10)11/h1-3H |
InChI Key: | LYESTQKHIPXVIK-UHFFFAOYSA-N |
Boiling Point: | 352.7 °C at 760 mmHg |
Density: | 1.708 g/cm3 |
MDL: | MFCD02684714 |
LogP: | 3.77970 |
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-3718545-A1 | Antitumor agent | 20171129 |
US-2020405697-A1 | Antitumor Agent | 20171129 |
US-2020308122-A1 | Novel non-systemic tgr5 agonists | 20160701 |
EP-3466934-A1 | Sulfonamide compound or salt thereof | 20160531 |
US-2020157066-A1 | Sulfonamide Compound or Salt Thereof | 20160531 |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.9159841 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.9159841 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 88.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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