3,4'-Bis(trifluoromethyl)benzophenone - CAS 21084-22-0
Catalog: |
BB044193 |
Product Name: |
3,4'-Bis(trifluoromethyl)benzophenone |
CAS: |
21084-22-0 |
Synonyms: |
[3-(trifluoromethyl)phenyl][4-(trifluoromethyl)phenyl]methanone |
IUPAC Name: | [3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone |
Description: | 3,4'-Bis(trifluoromethyl)benzophenone (CAS# 21084-22-0 ) is a useful research chemical. |
Molecular Weight: | 318.21 |
Molecular Formula: | C15H8F6O |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)C(=O)C2=CC=C(C=C2)C(F)(F)F |
InChI: | InChI=1S/C15H8F6O/c16-14(17,18)11-6-4-9(5-7-11)13(22)10-2-1-3-12(8-10)15(19,20)21/h1-8H |
InChI Key: | HWBXNAPXNCBCQO-UHFFFAOYSA-N |
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 |
Complexity: | 392 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 318.04793385 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 318.04793385 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5 |
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