2-(4-Chlorobenzoyl)benzoic acid - CAS 85-56-3
Catalog: |
BB037651 |
Product Name: |
2-(4-Chlorobenzoyl)benzoic acid |
CAS: |
85-56-3 |
Synonyms: |
2-(4-chlorobenzoyl)benzoic acid |
IUPAC Name: | 2-(4-chlorobenzoyl)benzoic acid |
Description: | 2-(4-Chlorobenzoyl)benzoic acid (CAS# 85-56-3) is a useful research chemical. |
Molecular Weight: | 260.67 |
Molecular Formula: | C14H9ClO3 |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)O |
InChI: | InChI=1S/C14H9ClO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18) |
InChI Key: | YWECCEXWKFHHQJ-UHFFFAOYSA-N |
Boiling Point: | 470.8 °C at 760 mmHg |
Melting Point: | 149-150 °C |
Purity: | 98 % |
Density: | 1.357 g/cm3 |
Appearance: | White solid |
Storage: | Refrigerator |
MDL: | MFCD00002474 |
LogP: | 3.26920 |
GHS Hazard Statement: | H302 (60.18%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111747839-A | Synthetic method of 2- (4' -ethylbenzoyl) benzoic acid | 20200624 |
JP-2021127455-A | Method for producing polyarylene sulfide | 20200214 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
US-2021108078-A1 | Polyphenylene sulfide resin composition for extrusion molding | 20191015 |
JP-2020026455-A | Reinforced fiber substrate, reinforced fiber laminate and fiber reinforced resin | 20180809 |
PMID | Publication Date | Title | Journal |
20101950 | 20091101 | [Study on photoluminescence of 2-(4-chloro-benzoyl)benzoic acid complexes] | Guang pu xue yu guang pu fen xi = Guang pu |
15115392 | 20040506 | Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening | Journal of medicinal chemistry |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.0240218 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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