3-(1-bromoethyl)benzotrifluoride - CAS 59770-96-6
Catalog: |
BB030492 |
Product Name: |
3-(1-bromoethyl)benzotrifluoride |
CAS: |
59770-96-6 |
Synonyms: |
1-(1-bromoethyl)-3-(trifluoromethyl)benzene; 1-(1-bromoethyl)-3-(trifluoromethyl)benzene |
IUPAC Name: | 1-(1-bromoethyl)-3-(trifluoromethyl)benzene |
Description: | 3-(1-bromoethyl)benzotrifluoride (CAS# 59770-96-6) is a useful research chemical. |
Molecular Weight: | 253.06 |
Molecular Formula: | C9H8BrF3 |
Canonical SMILES: | CC(C1=CC(=CC=C1)C(F)(F)F)Br |
InChI: | InChI=1S/C9H8BrF3/c1-6(10)7-3-2-4-8(5-7)9(11,12)13/h2-6H,1H3 |
InChI Key: | AJBWDFPJLDDEPQ-UHFFFAOYSA-N |
Boiling Point: | 196.4 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.457 g/cm3 |
LogP: | 4.16130 |
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 |
TW-201406744-A | Bicyclic substituted uracils and uses thereof | 20120509 |
TW-201734007-A | Bicyclic substituted uracils and uses thereof | 20120509 |
TW-I579278-B | Bicyclic substituted uracils and uses thereof | 20120509 |
EP-2744788-B1 | Benzopiperazine derivatives as cetp inhibitors | 20110819 |
US-2014357632-A1 | Benzopiperazine derivatives as cetp inhibitors | 20110819 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.97615 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.97615 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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