4-Bromo-2-chloro-6-(trifluoromethyl)aniline - CAS 870703-71-2
Catalog: |
BB038200 |
Product Name: |
4-Bromo-2-chloro-6-(trifluoromethyl)aniline |
CAS: |
870703-71-2 |
Synonyms: |
4-bromo-2-chloro-6-(trifluoromethyl)aniline |
IUPAC Name: | 4-bromo-2-chloro-6-(trifluoromethyl)aniline |
Description: | 4-Bromo-2-chloro-6-(trifluoromethyl)aniline (CAS# 870703-71-2 ) is a useful research chemical. |
Molecular Weight: | 262.45 |
Molecular Formula: | C6H4BrClF3N |
Canonical SMILES: | C1=C(C=C(C(=C1Cl)N)C(F)(F)F)Br |
InChI: | InChI=1S/C7H4BrClF3N/c8-3-1-4(7(10,11)12)6(13)5(9)2-3/h1-2H,13H2 |
InChI Key: | GAOGWONUOUYZFD-UHFFFAOYSA-N |
Boiling Point: | 220.3 °C at 760 mmHg |
Density: | 1.769 g/mL at 25 °C(lit.) |
MDL: | MFCD07369770 |
LogP: | 4.28470 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2016276316-A1 | Nuclear receptor modulators | 20150609 |
CA-2988502-A1 | Nuclear receptor modulators | 20150609 |
EP-3307734-A1 | Nuclear receptor modulators | 20150609 |
EP-3307734-B1 | Nuclear receptor modulators (ror) for the treatment of inflammatory and autoimmune diseases | 20150609 |
EP-3636643-A1 | Nuclear receptor modulators (ror) for the treatment of inflammatory and autoimmune diseases | 20150609 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.91677 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.91677 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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