5-Chloro-2,4-difluorobenzoic acid - CAS 130025-33-1
Catalog: |
BB007038 |
Product Name: |
5-Chloro-2,4-difluorobenzoic acid |
CAS: |
130025-33-1 |
Synonyms: |
5-chloro-2,4-difluorobenzoic acid; 5-chloro-2,4-difluorobenzoic acid |
IUPAC Name: | 5-chloro-2,4-difluorobenzoic acid |
Description: | 5-Chloro-2,4-difluorobenzoic acid (CAS# 130025-33-1) is a useful research chemical. |
Molecular Weight: | 192.55 |
Molecular Formula: | C7H3ClF2O2 |
Canonical SMILES: | C1=C(C(=CC(=C1Cl)F)F)C(=O)O |
InChI: | InChI=1S/C7H3ClF2O2/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2H,(H,11,12) |
InChI Key: | VXBQLSVFGIFOPQ-UHFFFAOYSA-N |
Boiling Point: | 272.6 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.573 g/cm3 |
Appearance: | Light yellow powder |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD06658163 |
LogP: | 2.31640 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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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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