3-Bromo-2-(trifluoromethyl)aniline - CAS 244246-71-7
Catalog: |
BB071235 |
Product Name: |
3-Bromo-2-(trifluoromethyl)aniline |
CAS: |
244246-71-7 |
Synonyms: |
3-Bromo-2-(trifluoromethyl)aniline; 2-AMINO-6-BROMOBENZOTRIFLUORIDE; Benzenamine, 3-bromo-2-(trifluoromethyl)-; 2-Trifluoromethyl-3-bromoaniline |
IUPAC Name: | 3-bromo-2-(trifluoromethyl)aniline |
Description: | 3-Bromo-2-(trifluoromethyl)aniline |
Molecular Weight: | 240.02 |
Molecular Formula: | C7H5BrF3N |
Canonical SMILES: | C1=CC(=C(C(=C1)Br)C(F)(F)F)N |
InChI: | InChI=1S/C7H5BrF3N/c8-4-2-1-3-5(12)6(4)7(9,10)11/h1-3H,12H2 |
InChI Key: | DAXMSIHFYZSWNH-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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: | 26Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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