3-Chloro-2,4-difluorobenzoic acid - CAS 154257-75-7
Catalog: |
BB010995 |
Product Name: |
3-Chloro-2,4-difluorobenzoic acid |
CAS: |
154257-75-7 |
Synonyms: |
3-chloro-2,4-difluorobenzoic acid; 3-chloro-2,4-difluorobenzoic acid |
IUPAC Name: | 3-chloro-2,4-difluorobenzoic acid |
Description: | 3-Chloro-2,4-difluorobenzoic acid (CAS# 154257-75-7) is a useful synthetic intermediate. It can be used to prepare fungicidal arylpyrazoles or quinolinones as antimicrobials. |
Molecular Weight: | 192.55 |
Molecular Formula: | C7H3ClF2O2 |
Canonical SMILES: | C1=CC(=C(C(=C1C(=O)O)F)Cl)F |
InChI: | InChI=1S/C7H3ClF2O2/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2H,(H,11,12) |
InChI Key: | YGYZTZAEZMCPSC-UHFFFAOYSA-N |
Boiling Point: | 276.7 ℃ at 760 mmHg |
Melting Point: | 174-176 ℃ |
Purity: | 95 % |
Density: | 1.573 g/cm3 |
Appearance: | White crystals |
MDL: | MFCD01631387 |
LogP: | 2.31640 |
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 |
WO-2021032687-A1 | Antimalarial hexahydropyrimidine analogues | 20190819 |
US-2021047294-A1 | Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors | 20190814 |
WO-2021030537-A1 | Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors | 20190814 |
CN-107286350-B | Rare earth coordination polymer with high thermal stability and preparation method thereof | 20170628 |
CN-106278860-A | A kind of synthetic method of 3 chlorine 2,4 difluoro-benzoic acids | 20160811 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.9789634 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.9789634 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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