4-Chloro-3-(trifluoromethyl)benzoic Acid - CAS 1737-36-6
Catalog: |
BB012949 |
Product Name: |
4-Chloro-3-(trifluoromethyl)benzoic Acid |
CAS: |
1737-36-6 |
Synonyms: |
4-chloro-3-(trifluoromethyl)benzoic acid; 4-chloro-3-(trifluoromethyl)benzoic acid |
IUPAC Name: | 4-chloro-3-(trifluoromethyl)benzoic acid |
Description: | 4-Chloro-3-(trifluoromethyl)benzoic Acid (CAS# 1737-36-6) is a useful research chemical. |
Molecular Weight: | 224.56 |
Molecular Formula: | C8H4ClF3O2 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)C(F)(F)F)Cl |
InChI: | InChI=1S/C8H4ClF3O2/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H,13,14) |
InChI Key: | PPHHAZOVVZBSCM-UHFFFAOYSA-N |
Boiling Point: | 289.9 ℃ at 760 mmHg |
Density: | 1.523 g/cm3 |
Appearance: | Solid |
MDL: | MFCD01631468 |
LogP: | 3.05700 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112341396-A | Novel monoacylglycerol esterase inhibitor and preparation method and application thereof | 20201104 |
CN-112028814-A | Method for preparing amine compound based on novel catalytic Curtius rearrangement reaction | 20200930 |
WO-2021004547-A1 | Heterocyclic compounds as inhibitors of hpk1 | 20190711 |
WO-2020070610-A1 | Novel oxadiazoles | 20181001 |
TW-202028196-A | Novel oxadiazoles | 20181001 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.9851915 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.9851915 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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