4-Nitro-3-(trifluoromethyl)benzenesulfonyl chloride - CAS 39234-83-8
Catalog: |
BB023907 |
Product Name: |
4-Nitro-3-(trifluoromethyl)benzenesulfonyl chloride |
CAS: |
39234-83-8 |
Synonyms: |
4-nitro-3-(trifluoromethyl)benzenesulfonyl chloride |
IUPAC Name: | 4-nitro-3-(trifluoromethyl)benzenesulfonyl chloride |
Description: | 4-Nitro-3-(trifluoromethyl)benzenesulfonyl chloride (CAS# 39234-83-8) is a useful research chemical compound. |
Molecular Weight: | 289.62 |
Molecular Formula: | C7H3ClF3NO4S |
Canonical SMILES: | C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C7H3ClF3NO4S/c8-17(15,16)4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H |
InChI Key: | LJQUNSRHHHYXEW-UHFFFAOYSA-N |
Boiling Point: | 354 °C at 760 mmHg |
Melting Point: | 63-67 °C (lit.) |
Purity: | 95 % |
Density: | 1.689 g/cm3 |
Appearance: | White to tan solid |
MDL: | MFCD03094387 |
LogP: | 4.14510 |
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-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 |
CN-104678028-A | Pretreatment and detection method for biogen amine neurotransmitter and detection kit | 20150212 |
JP-2015231364-A | Fluorescent probe for carbonic acid dehydrogenase detection | 20140514 |
CA-2837146-A1 | Benzocycloheptene acetic acids | 20110606 |
Complexity: | 399 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.9423409 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.9423409 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 88.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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