2-(4-Chlorophenyl)cyclopropanecarboxylic Acid - CAS 90940-40-2
Catalog: |
BB039999 |
Product Name: |
2-(4-Chlorophenyl)cyclopropanecarboxylic Acid |
CAS: |
90940-40-2 |
Synonyms: |
2-(4-chlorophenyl)-1-cyclopropanecarboxylic acid; 2-(4-chlorophenyl)cyclopropane-1-carboxylic acid |
IUPAC Name: | 2-(4-chlorophenyl)cyclopropane-1-carboxylic acid |
Description: | 2-(4-Chlorophenyl)cyclopropanecarboxylic Acid (CAS# 90940-40-2) is a useful research chemical. |
Molecular Weight: | 196.63 |
Molecular Formula: | C10H9ClO2 |
Canonical SMILES: | C1C(C1C(=O)O)C2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C10H9ClO2/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13) |
InChI Key: | JZYXJKBNUJJIKU-UHFFFAOYSA-N |
Boiling Point: | 346.9 ℃ at 760 mmHg |
Density: | 1.388 g/cm3 |
MDL: | MFCD03419437 |
LogP: | 2.52810 |
GHS Hazard Statement: | H301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; 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] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020017569-A1 | T-type calcium channel blocker | 20180717 |
US-2019177279-A1 | Carboxylic acid aromatic 1,2-cyclopropylamides | 20171213 |
CA-3066328-A1 | Chemical compounds as atf4 pathway inhibitors | 20170607 |
CN-110730777-A | Chemical compounds as inhibitors of the ATF4 pathway | 20170607 |
EP-3634952-A1 | Chemical compounds as atf4 pathway inhibitors | 20170607 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.0291072 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.0291072 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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