2-Methoxy-4-nitrobenzenesulfonyl chloride - CAS 21320-91-2
Catalog: |
BB016766 |
Product Name: |
2-Methoxy-4-nitrobenzenesulfonyl chloride |
CAS: |
21320-91-2 |
Synonyms: |
Benzenesulfonyl chloride, 2-methoxy-4-nitro-; 2-Methoxy-4-nitrobenzene-1-sulfonyl chloride; 4-Nitro-2-methoxybenzenesulfonyl chloride; NSC 211731 |
Related CAS: | 1770851-52-9 (Deleted CAS)
|
IUPAC Name: | 2-methoxy-4-nitrobenzenesulfonyl chloride |
Molecular Weight: | 251.64 |
Molecular Formula: | C7H6ClNO5S |
Canonical SMILES: | COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)Cl |
InChI: | InChI=1S/C7H6ClNO5S/c1-14-6-4-5(9(10)11)2-3-7(6)15(8,12)13/h2-4H,1H3 |
InChI Key: | QECYXMKYZQXEHM-UHFFFAOYSA-N |
Boiling Point: | 406.6±35.0°C at 760 mmHg |
Melting Point: | 90-95°C |
Purity: | 95% |
Density: | 1.553±0.06 g/cm3 |
Solubility: | Soluble in Toluene |
Appearance: | White to Light Yellow Powder to Crystal |
Storage: | Store at RT under inert atmosphere |
MDL: | MFCD03094697 |
LogP: | 3.13490 |
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-109516987-B | Preparation method of avibactam intermediate | 20181226 |
WO-2020041179-A1 | Hygromycin a compounds and methods of treating spirochete diseases | 20180820 |
EP-3840743-A1 | Hygromycin a compounds and methods of treating spirochete diseases | 20180820 |
US-2021275559-A1 | Hygromycin a compounds and methods of treating spirochete diseases | 20180820 |
WO-2020010140-A1 | Nlrp modulators | 20180703 |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.9655212 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.9655212 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 97.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Sulfur Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS