4-Bromo-3-(trifluoromethyl)anisole - CAS 400-72-6
Catalog: |
BB024281 |
Product Name: |
4-Bromo-3-(trifluoromethyl)anisole |
CAS: |
400-72-6 |
Synonyms: |
1-bromo-4-methoxy-2-(trifluoromethyl)benzene; 1-bromo-4-methoxy-2-(trifluoromethyl)benzene |
IUPAC Name: | 1-bromo-4-methoxy-2-(trifluoromethyl)benzene |
Description: | 4-Bromo-3-(trifluoromethyl)anisole (CAS# 400-72-6) is a useful research chemical. |
Molecular Weight: | 255.03 |
Molecular Formula: | C8H6BrF3O |
Canonical SMILES: | COC1=CC(=C(C=C1)Br)C(F)(F)F |
InChI: | InChI=1S/C8H6BrF3O/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3 |
InChI Key: | NSGGOSHNRGWKCM-UHFFFAOYSA-N |
Boiling Point: | 217.8 °C at 760 mmHg |
Density: | 1.563 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD08059527 |
LogP: | 3.47650 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021048241-A1 | Radiolabeled compounds | 20190912 |
WO-2020035424-A1 | New heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
WO-2020035425-A1 | New heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
AU-2019322161-A1 | New heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
TW-202021970-A | New heterocyclic compounds | 20180813 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.95541 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.95541 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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