3-Bromo-5-(trifluoromethyl)benzylamine - CAS 691877-04-0
Catalog: |
BB033720 |
Product Name: |
3-Bromo-5-(trifluoromethyl)benzylamine |
CAS: |
691877-04-0 |
Synonyms: |
[3-bromo-5-(trifluoromethyl)phenyl]methanamine; [3-bromo-5-(trifluoromethyl)phenyl]methanamine |
IUPAC Name: | [3-bromo-5-(trifluoromethyl)phenyl]methanamine |
Description: | 3-Bromo-5-(trifluoromethyl)benzylamine (CAS# 691877-04-0) is a useful research chemical compound. |
Molecular Weight: | 254.05 |
Molecular Formula: | C8H7BrF3N |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)Br)CN |
InChI: | InChI=1S/C8H7BrF3N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H,4,13H2 |
InChI Key: | DYFSALRUMZSKBU-UHFFFAOYSA-N |
LogP: | 3.62690 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2005261325-A1 | Gamma-aminoamide modulators of chemokine receptor activity | 20021030 |
US-7247725-B2 | Gamma-aminoamide modulators of chemokine receptor activity | 20021030 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.97140 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.97140 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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