1-Bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene - CAS 954123-46-7
Catalog: |
BB072329 |
Product Name: |
1-Bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene |
CAS: |
954123-46-7 |
Synonyms: |
1-BROMO-3-(BROMOMETHYL)-5-(TRIFLUOROMETHYL)BENZENE; 3-Bromo-5-(trifluoromethyl)benzyl bromide |
IUPAC Name: | 1-bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene |
Description: | 1-Bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene |
Molecular Weight: | 317.93 |
Molecular Formula: | C8H5Br2F3 |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)Br)CBr |
InChI: | InChI=1S/C8H5Br2F3/c9-4-5-1-6(8(11,12)13)3-7(10)2-5/h1-3H,4H2 |
InChI Key: | CRKZDDPRUZNPKL-UHFFFAOYSA-N |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.86896 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 315.87101 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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