2-Fluorocinnamic acid - CAS 451-69-4
Catalog: |
BB025779 |
Product Name: |
2-Fluorocinnamic acid |
CAS: |
451-69-4 |
Synonyms: |
(E)-3-(2-fluorophenyl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(2-fluorophenyl)prop-2-enoic acid |
Description: | 2-Fluorocinnamic acid (CAS# 451-69-4) is a useful research chemical. |
Molecular Weight: | 166.15 |
Molecular Formula: | C9H7FO2 |
Canonical SMILES: | C1=CC=C(C(=C1)C=CC(=O)O)F |
InChI: | InChI=1S/C9H7FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+ |
InChI Key: | IOUDZAFBPDDAMK-AATRIKPKSA-N |
Boiling Point: | 281.6 ℃ at 760 mmHg |
Melting Point: | 179-183 ℃ |
Purity: | > 98.0 % (GC) (T) |
Density: | 1.285 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00004370 |
LogP: | 1.92350 |
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 |
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Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 166.04300762 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.04300762 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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