3-(Trifluoromethyl)benzoyl chloride - CAS 2251-65-2
Catalog: |
BB017644 |
Product Name: |
3-(Trifluoromethyl)benzoyl chloride |
CAS: |
2251-65-2 |
Synonyms: |
3-(trifluoromethyl)benzoyl chloride |
IUPAC Name: | 3-(trifluoromethyl)benzoyl chloride |
Description: | 3-(Trifluoromethyl)benzoyl chloride (CAS# 2251-65-2) is a useful research chemical. |
Molecular Weight: | 208.56 |
Molecular Formula: | C8H4ClF3O |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl |
InChI: | InChI=1S/C8H4ClF3O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4H |
InChI Key: | RUJYJCANMOTJMO-UHFFFAOYSA-N |
Boiling Point: | 184-186 °C (750 mmHg) |
Purity: | 98 % |
Density: | 1.383 g/cm3 |
Appearance: | Clear light yellow liquid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area. Store protected from moisture. |
MDL: | MFCD00000680 |
LogP: | 3.08440 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.9902769 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.9902769 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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