2-Bromo-5-chlorobenzotrifluoride - CAS 344-65-0
Catalog: |
BB022148 |
Product Name: |
2-Bromo-5-chlorobenzotrifluoride |
CAS: |
344-65-0 |
Synonyms: |
1-bromo-4-chloro-2-(trifluoromethyl)benzene |
IUPAC Name: | 1-bromo-4-chloro-2-(trifluoromethyl)benzene |
Description: | 2-Bromo-5-chlorobenzotrifluoride (CAS# 344-65-0) is a useful research chemical. |
Molecular Weight: | 259.45 |
Molecular Formula: | C7H3BrClF3 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)C(F)(F)F)Br |
InChI: | InChI=1S/C7H3BrClF3/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H |
InChI Key: | OSTIALFVJOFNPP-UHFFFAOYSA-N |
Boiling Point: | 179-180 °C |
Melting Point: | 18-20 °C |
Purity: | 97 % |
Density: | 1.759 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00010308 |
LogP: | 4.12130 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017239348-A1 | Substituted-indole compounds as estrogen receptor down-regulators | 20160325 |
AU-2017239348-B2 | Substituted-indole compounds as estrogen receptor down-regulators | 20160325 |
CN-108884035-B | Substituted indoles as estrogen receptor down-modulators | 20160325 |
EP-3434668-A1 | Indolo-substituted-piperidine compounds as estrogen receptor degrading agent | 20160325 |
JP-2019512550-A | Substituted indole compounds as estrogen receptor downregulators | 20160325 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.90587 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.90587 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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