5-Bromo-2-methoxybenzenesulfonyl chloride - CAS 23095-05-8
Catalog: |
BB017923 |
Product Name: |
5-Bromo-2-methoxybenzenesulfonyl chloride |
CAS: |
23095-05-8 |
Synonyms: |
5-bromo-2-methoxybenzenesulfonyl chloride |
IUPAC Name: | 5-bromo-2-methoxybenzenesulfonyl chloride |
Description: | 5-Bromo-2-methoxybenzenesulfonyl chloride (CAS# 23095-05-8) is a useful research chemical. |
Molecular Weight: | 285.54 |
Molecular Formula: | C7H6BrClO3S |
Canonical SMILES: | COC1=C(C=C(C=C1)Br)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H6BrClO3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3 |
InChI Key: | IXSBNNRUQYYMRM-UHFFFAOYSA-N |
Boiling Point: | 362.3 °C at 760 mmHg |
Melting Point: | 115-118 °C (lit.) |
Purity: | 98 % |
Density: | 1.717 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00051768 |
LogP: | 3.46600 |
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-112409223-A | Amide compounds and medical application thereof as STING inhibitor | 20191012 |
WO-2021068950-A1 | Amide compound and medical use thereof as sting inhibitor | 20191012 |
WO-2021021951-A1 | Wdr5-myc inhibitors | 20190729 |
WO-2020117972-A1 | Therapeutics targeting mutant adenomatous polyposis coli (apc) for the treatment of cancer | 20181204 |
EP-3890715-A1 | Therapeutics targeting mutant adenomatous polyposis coli (apc) for the treatment of cancer | 20181204 |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.89096 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.89096 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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