5-Bromo-2-nitrobenzotrifluoride - CAS 344-38-7
Catalog: |
BB022139 |
Product Name: |
5-Bromo-2-nitrobenzotrifluoride |
CAS: |
344-38-7 |
Synonyms: |
4-bromo-1-nitro-2-(trifluoromethyl)benzene |
IUPAC Name: | 4-bromo-1-nitro-2-(trifluoromethyl)benzene |
Description: | 5-Bromo-2-nitrobenzotrifluoride (CAS# 344-38-7) is a useful research chemical. |
Molecular Weight: | 270.00 |
Molecular Formula: | C7H3BrF3NO2 |
Canonical SMILES: | C1=CC(=C(C=C1Br)C(F)(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C7H3BrF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H |
InChI Key: | ZHLYHEDQTJZYFI-UHFFFAOYSA-N |
Boiling Point: | 95-100 °C (5 mmHg) |
Purity: | 97 % |
Density: | 1.799 g/cm3 |
Appearance: | Crystals |
MDL: | MFCD00014706 |
LogP: | 3.89930 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110668955-A | Synthesis method of o-amino benzotrifluoride | 20180702 |
US-2020017478-A1 | Compounds And Their Use For Reducing Uric Acid Levels | 20160630 |
WO-2018005193-A1 | Compounds and their use for reducing uric acid levels | 20160630 |
US-10752613-B2 | Compounds and their use for reducing uric acid levels | 20160630 |
US-2020339545-A1 | Compounds And Their Use For Reducing Uric Acid Levels | 20160630 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.92993 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.92993 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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