2-Bromo-4-(trifluoromethyl)aniline - CAS 57946-63-1
Catalog: |
BB029872 |
Product Name: |
2-Bromo-4-(trifluoromethyl)aniline |
CAS: |
57946-63-1 |
Synonyms: |
2-bromo-4-(trifluoromethyl)aniline |
IUPAC Name: | 2-bromo-4-(trifluoromethyl)aniline |
Description: | 2-Bromo-4-(trifluoromethyl)aniline (CAS# 57946-63-1) is a useful research chemical. |
Molecular Weight: | 240.02 |
Molecular Formula: | C7H5BrF3N |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)Br)N |
InChI: | InChI=1S/C7H5BrF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2 |
InChI Key: | QKRJIXSZTKOFTD-UHFFFAOYSA-N |
Boiling Point: | 109-110 °C (10 mmHg) |
Density: | 1.697 g/cm3 |
MDL: | MFCD00042150 |
LogP: | 3.63130 |
GHS Hazard Statement: | H302 (15.56%): 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, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112028826-A | Synthesis method of 6- (trifluoromethyl) quinoline-8-carboxylic acid | 20201012 |
CN-112079859-A | Polycyclic aromatic compound and application thereof in electroluminescent device | 20200924 |
WO-2021097057-A1 | 5-membered heteroarylaminosulfonamides for treating conditions mediated by deficient cftr activity | 20191112 |
WO-2020086728-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181024 |
CN-113347970-A | Compounds and compositions for treating conditions associated with NLRP activity | 20181024 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.95575 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.95575 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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