4-Chloro-2-fluorobenzoic acid - CAS 446-30-0
Catalog: |
BB025672 |
Product Name: |
4-Chloro-2-fluorobenzoic acid |
CAS: |
446-30-0 |
Synonyms: |
4-chloro-2-fluorobenzoic acid |
IUPAC Name: | 4-chloro-2-fluorobenzoic acid |
Description: | 4-Chloro-2-fluorobenzoic acid (CAS# 446-30-0) is a useful research chemical. |
Molecular Weight: | 174.56 |
Molecular Formula: | C7H4ClFO2 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)F)C(=O)O |
InChI: | InChI=1S/C7H4ClFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11) |
InChI Key: | ZLPXBWMVZANJJQ-UHFFFAOYSA-N |
Boiling Point: | 274.7 °C at 760 mmHg |
Melting Point: | 204-208 °C |
Purity: | 98 % |
Density: | 1.477 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00042468 |
LogP: | 2.17730 |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.9883852 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.9883852 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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