2-Methyl-5-nitrobenzenesulfonyl chloride - CAS 121-02-8
Catalog: |
BB005020 |
Product Name: |
2-Methyl-5-nitrobenzenesulfonyl chloride |
CAS: |
121-02-8 |
Synonyms: |
2-methyl-5-nitrobenzenesulfonyl chloride |
IUPAC Name: | 2-methyl-5-nitrobenzenesulfonyl chloride |
Description: | Intermediate in the preparation of PDE7 inhibitors and kinase inhibitors. |
Molecular Weight: | 235.64 |
Molecular Formula: | C7H6ClNO4S |
Canonical SMILES: | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)Cl |
InChI: | InChI=1S/C7H6ClNO4S/c1-5-2-3-6(9(10)11)4-7(5)14(8,12)13/h2-4H,1H3 |
InChI Key: | WPGVQDHXOUAJBW-UHFFFAOYSA-N |
Boiling Point: | 369.2 °C at 760 mmHg |
Melting Point: | 43-45 °C |
Purity: | 95 % |
Density: | 1.528 g/cm3 |
MDL: | MFCD00051695 |
LogP: | 3.43470 |
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-112694468-A | Preparation method of pezopanib related substance | 20191023 |
CN-110143951-A | A kind of synthetic method of pazopanib hydrochloride bulk pharmaceutical chemicals tripolymer impurity | 20190604 |
CN-110143951-B | Synthetic method of pazopanib hydrochloride raw material trimer impurity | 20190604 |
CN-109516987-A | A kind of AVM hereinafter Batan centre preparation | 20181226 |
CN-109516987-B | Preparation method of avibactam intermediate | 20181226 |
PMID | Publication Date | Title | Journal |
21580027 | 20091212 | 2-Methyl-5-nitro-benzene-sulfonamide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.9706065 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.9706065 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 88.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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