3-(Trifluoromethyl)phenethyl bromide - CAS 1997-80-4
Catalog: |
BB015423 |
Product Name: |
3-(Trifluoromethyl)phenethyl bromide |
CAS: |
1997-80-4 |
Synonyms: |
1-(2-bromoethyl)-3-(trifluoromethyl)benzene |
IUPAC Name: | 1-(2-bromoethyl)-3-(trifluoromethyl)benzene |
Description: | 3-(Trifluoromethyl)phenethyl bromide (CAS# 1997-80-4) is a useful research chemical. |
Molecular Weight: | 253.06 |
Molecular Formula: | C9H8BrF3 |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)CCBr |
InChI: | InChI=1S/C9H8BrF3/c10-5-4-7-2-1-3-8(6-7)9(11,12)13/h1-3,6H,4-5H2 |
InChI Key: | AZLYAPKPZBXCGX-UHFFFAOYSA-N |
Boiling Point: | 92-94 ℃ / 12 mmHg |
Purity: | 95 % |
Density: | 1.495 g/mL at 25℃ |
MDL: | MFCD03092900 |
LogP: | 3.64280 |
GHS Hazard Statement: | H302 (97.5%): 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 |
WO-2021058445-A1 | New heterocyclic monoacylglycerol lipase (magl) inhibitors | 20190924 |
WO-2020084131-A1 | Aminopeptidase a inhibitors and pharmaceutical compositions comprising the same | 20181026 |
AU-2019365119-B2 | Aminopeptidase a inhibitors and pharmaceutical compositions comprising the same | 20181026 |
CN-113166182-A | Aminopeptidase A inhibitor and pharmaceutical composition comprising the same | 20181026 |
EP-3870591-A1 | Aminopeptidase a inhibitors and pharmaceutical compositions comprising the same | 20181026 |
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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