2-Bromo-5-fluorobenzotrifluoride - CAS 40161-55-5
Catalog: |
BB024341 |
Product Name: |
2-Bromo-5-fluorobenzotrifluoride |
CAS: |
40161-55-5 |
Synonyms: |
1-bromo-4-fluoro-2-(trifluoromethyl)benzene |
IUPAC Name: | 1-bromo-4-fluoro-2-(trifluoromethyl)benzene |
Description: | 2-Bromo-5-fluorobenzotrifluoride (CAS# 40161-55-5) is a useful research chemical. |
Molecular Weight: | 243.00 |
Molecular Formula: | C7H3BrF4 |
Canonical SMILES: | C1=CC(=C(C=C1F)C(F)(F)F)Br |
InChI: | InChI=1S/C7H3BrF4/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H |
InChI Key: | AIDVAZGOACECLJ-UHFFFAOYSA-N |
Boiling Point: | 136-143 °C |
Purity: | 98 % |
Density: | 1.695 g/cm3 |
Appearance: | Colorless to dark yellow liquid |
Storage: | Refrigerator |
MDL: | MFCD00040937 |
LogP: | 3.60700 |
GHS Hazard Statement: | H227 (11.11%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112079797-A | Preparation method of 2- [4- (4-chlorophenoxy) -2-trifluoromethylphenyl ] -2-methyloxirane | 20200928 |
CN-111362775-A | Synthesis method of 2-bromo-5-fluorobenzotrifluoride | 20200424 |
CN-111362775-B | Synthesis method of 2-bromo-5-fluorobenzotrifluoride | 20200424 |
CN-111072517-A | Preparation method of 4-amino-2-trifluoromethyl benzonitrile | 20191231 |
CN-112430234-A | Novel KRAS G12C protein inhibitor and preparation method and application thereof | 20190826 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.93543 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.93543 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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