4-(4-Chlorophenyl)benzoic acid - CAS 5748-41-4
Catalog: |
BB029716 |
Product Name: |
4-(4-Chlorophenyl)benzoic acid |
CAS: |
5748-41-4 |
Synonyms: |
4-(4-chlorophenyl)benzoic acid |
IUPAC Name: | 4-(4-chlorophenyl)benzoic acid |
Description: | 4-(4-Chlorophenyl)benzoic acid (CAS# 5748-41-4) is a useful research chemical. |
Molecular Weight: | 232.66 |
Molecular Formula: | C13H9ClO2 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC=C(C=C2)Cl)C(=O)O |
InChI: | InChI=1S/C13H9ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16) |
InChI Key: | FIMRRWLTRBEAOM-UHFFFAOYSA-N |
Boiling Point: | 398.5 ℃ at 760 mmHg |
Purity: | 96 % |
Density: | 1.298 g/cm3 |
Appearance: | White powder |
MDL: | MFCD03424592 |
LogP: | 3.70520 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021127455-A | Method for producing polyarylene sulfide | 20200214 |
WO-2020257487-A1 | Glycolate oxidase inhibitors for the treatment of disease | 20190619 |
WO-2019158572-A1 | Inhibitors of trpc6 | 20180215 |
US-2020399282-A1 | Inhibitors of trpc6 | 20180215 |
US-2021171474-A1 | Glycolate oxidase inhibitors for the treatment of disease | 20171229 |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.0291072 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.0291072 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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