2-Bromo-4-(trifluoromethyl)benzaldehyde - CAS 85118-24-7
Catalog: |
BB037495 |
Product Name: |
2-Bromo-4-(trifluoromethyl)benzaldehyde |
CAS: |
85118-24-7 |
Synonyms: |
2-bromo-4-(trifluoromethyl)benzaldehyde; 2-bromo-4-(trifluoromethyl)benzaldehyde |
IUPAC Name: | 2-bromo-4-(trifluoromethyl)benzaldehyde |
Description: | 2-Bromo-4-(trifluoromethyl)benzaldehyde (CAS# 85118-24-7) is a useful research chemical. |
Molecular Weight: | 253.02 |
Molecular Formula: | C8H4BrF3O |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)Br)C=O |
InChI: | InChI=1S/C8H4BrF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H |
InChI Key: | CUKSTNNYAHZPRM-UHFFFAOYSA-N |
Boiling Point: | 230 °C at 760 mmHg |
Density: | 1.677 g/cm3 |
MDL: | MFCD09835101 |
LogP: | 3.28040 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021062319-A1 | Indole carboxamide compounds and use thereof for the treatment of mycobacterial infections | 20190926 |
WO-2019149660-A1 | Triazolopyrimidine derivatives for use as ghrelin o-acyl transferase (goat) inhibitors | 20180202 |
AU-2019215710-A1 | Triazolopyrimidine derivatives for use as ghrelin O-acyl transferase (GOAT) inhibitors | 20180202 |
BR-112020014436-A2 | triazolopyrimidine derivatives, pharmaceutical composition and their uses as ghrelin o-acyl transferase (goat) inhibitors | 20180202 |
CN-111683951-A | Triazolopyrimidine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors | 20180202 |
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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