Fluorofumaric acid - CAS 672-18-4
Catalog: |
BB054802 |
Product Name: |
Fluorofumaric acid |
CAS: |
672-18-4 |
Synonyms: |
(2Z)-2-Fluorobut-2-enedioic acid; Monofluorofumarate |
IUPAC Name: | (Z)-2-fluorobut-2-enedioic acid |
Molecular Weight: | 134.06 |
Molecular Formula: | C4H3FO4 |
Canonical SMILES: | C(=C(C(=O)O)F)C(=O)O |
InChI: | InChI=1S/C4H3FO4/c5-2(4(8)9)1-3(6)7/h1H,(H,6,7)(H,8,9)/b2-1- |
InChI Key: | OISKHJXTRQPMQT-UPHRSURJSA-N |
Boiling Point: | 317.8°C at 760 mmHg |
Density: | 1.621 g/cm3 |
Appearance: | Solid Powder |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 134.00153673 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.00153673 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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