2,5-Bis(trifluoromethyl)benzyl bromide - CAS 302911-98-4
Catalog: |
BB020520 |
Product Name: |
2,5-Bis(trifluoromethyl)benzyl bromide |
CAS: |
302911-98-4 |
Synonyms: |
2-(bromomethyl)-1,4-bis(trifluoromethyl)benzene |
IUPAC Name: | 2-(bromomethyl)-1,4-bis(trifluoromethyl)benzene |
Description: | 2,5-Bis(trifluoromethyl)benzyl bromide (CAS# 302911-98-4) is a useful research chemical. |
Molecular Weight: | 307.03 |
Molecular Formula: | C9H5BrF6 |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)CBr)C(F)(F)F |
InChI: | InChI=1S/C9H5BrF6/c10-4-5-3-6(8(11,12)13)1-2-7(5)9(14,15)16/h1-3H,4H2 |
InChI Key: | CHSQGVCRNVEWIA-UHFFFAOYSA-N |
Boiling Point: | 176 °C |
Purity: | 95 % |
Density: | 1.674 g/cm3 |
MDL: | MFCD00799485 |
LogP: | 4.61910 |
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 |
Publication Number | Title | Priority Date |
EP-3558298-A1 | Antidiabetic spirochroman compounds | 20161220 |
US-2019337961-A1 | Antidiabetic spirochroman compounds | 20161220 |
WO-2018118670-A1 | Antidiabetic spirochroman compounds | 20161220 |
US-10968232-B2 | Antidiabetic spirochroman compounds | 20161220 |
CA-3023383-A1 | Substituted 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-3(2h)-ones and 2,5,6,7-tetrahydro-3h-pyrrolo[2,1-c][1,2,4]triazol-3-ones, and use thereof | 20160509 |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.94788 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.94788 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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