2-(Trifluoromethyl)phenethyl bromide - CAS 94022-95-4
Catalog: |
BB041173 |
Product Name: |
2-(Trifluoromethyl)phenethyl bromide |
CAS: |
94022-95-4 |
Synonyms: |
1-(2-bromoethyl)-2-(trifluoromethyl)benzene |
IUPAC Name: | 1-(2-bromoethyl)-2-(trifluoromethyl)benzene |
Description: | 2-(Trifluoromethyl)phenethyl bromide (CAS# 94022-95-4) is a useful research chemical. |
Molecular Weight: | 253.06 |
Molecular Formula: | C9H8BrF3 |
Canonical SMILES: | C1=CC=C(C(=C1)CCBr)C(F)(F)F |
InChI: | InChI=1S/C9H8BrF3/c10-6-5-7-3-1-2-4-8(7)9(11,12)13/h1-4H,5-6H2 |
InChI Key: | QECZMYGJNDGESU-UHFFFAOYSA-N |
Boiling Point: | 207.2 °C at 760 mmHg |
Density: | 1.497 g/cm3 |
MDL: | MFCD10567021 |
LogP: | 3.64280 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-107250110-A | The noval chemical compound of (RET) inhibitor is reset as transfection | 20140910 |
CN-107250110-B | Novel compounds as inhibitors of transfection Rearrangement (RET) | 20140910 |
AU-2014318837-A1 | Pyridazinone compounds and uses thereof | 20130912 |
CA-2922943-A1 | Pyridazinone compounds and uses thereof | 20130912 |
CN-105722831-A | Pyridazinone compounds and uses thereof | 20130912 |
Complexity: | 155 |
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: | 2 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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