4-Bromo-2-(trifluoromethyl)benzaldehyde - CAS 861928-27-0
Catalog: |
BB037850 |
Product Name: |
4-Bromo-2-(trifluoromethyl)benzaldehyde |
CAS: |
861928-27-0 |
Synonyms: |
4-bromo-2-(trifluoromethyl)benzaldehyde; 4-bromo-2-(trifluoromethyl)benzaldehyde |
IUPAC Name: | 4-bromo-2-(trifluoromethyl)benzaldehyde |
Description: | 4-Bromo-2-(trifluoromethyl)benzaldehyde (CAS# 861928-27-0) is a useful research chemical. |
Molecular Weight: | 253.02 |
Molecular Formula: | C8H4BrF3O |
Canonical SMILES: | C1=CC(=C(C=C1Br)C(F)(F)F)C=O |
InChI: | InChI=1S/C8H4BrF3O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-4H |
InChI Key: | PROPHDFGNNBHJX-UHFFFAOYSA-N |
Boiling Point: | 243 °C |
Density: | 1.677 g/cm3 |
Appearance: | Pale yellow crystalline |
MDL: | MFCD09037472 |
LogP: | 3.28040 |
GHS Hazard Statement: | H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.93976 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.93976 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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