2-Nitro-α-toluenesulfonyl chloride - CAS 24974-75-2
Catalog: |
BB018687 |
Product Name: |
2-Nitro-α-toluenesulfonyl chloride |
CAS: |
24974-75-2 |
Synonyms: |
(2-nitrophenyl)methanesulfonyl chloride |
IUPAC Name: | (2-nitrophenyl)methanesulfonyl chloride |
Description: | 2-Nitro-α-toluenesulfonyl chloride (CAS# 24974-75-2) is a useful research chemical. |
Molecular Weight: | 235.64 |
Molecular Formula: | C7H6ClNO4S |
Canonical SMILES: | C1=CC=C(C(=C1)CS(=O)(=O)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C7H6ClNO4S/c8-14(12,13)5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2 |
InChI Key: | FUEFNUGYRWQHTH-UHFFFAOYSA-N |
Boiling Point: | 367.5 °C at 760 mmHg |
Density: | 1.57 g/cm3 |
MDL: | MFCD00082526 |
LogP: | 3.26740 |
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 |
WO-2021143924-A1 | Boric acid derivative | 20200119 |
WO-2021127499-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20191218 |
WO-2019246513-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20180621 |
TW-202016082-A | Protein tyrosine phosphatase inhibitor and method of use | 20180621 |
AU-2019290197-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20180621 |
Complexity: | 305 |
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: | 2 |
Topological Polar Surface Area: | 88.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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