5-Bromo-2-fluorobenzotrifluoride - CAS 393-37-3
Catalog: |
BB023938 |
Product Name: |
5-Bromo-2-fluorobenzotrifluoride |
CAS: |
393-37-3 |
Synonyms: |
4-bromo-1-fluoro-2-(trifluoromethyl)benzene |
IUPAC Name: | 4-bromo-1-fluoro-2-(trifluoromethyl)benzene |
Description: | 5-Bromo-2-fluorobenzotrifluoride (CAS# 393-37-3) is a useful research chemical. |
Molecular Weight: | 243.00 |
Molecular Formula: | C7H3BrF4 |
Canonical SMILES: | C1=CC(=C(C=C1Br)C(F)(F)F)F |
InChI: | InChI=1S/C7H3BrF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H |
InChI Key: | AJLIJYGWAXPEOK-UHFFFAOYSA-N |
Boiling Point: | 79-80 °C (50 mmHg) |
Purity: | 95 % |
Density: | 1.72 g/cm3 |
MDL: | MFCD00042493 |
LogP: | 3.60700 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021076890-A1 | INHIBITING HUMAN INTEGRIN α4β7 | 20191016 |
WO-2021076902-A1 | INHIBITING HUMAN INTEGRIN α 4 β 7 | 20191016 |
US-11104661-B1 | Inhibiting human integrin (α-4) (β-7) | 20191016 |
WO-2021043322-A1 | Azepino pyrimidine derivatives and medical use thereof | 20190906 |
WO-2020232401-A1 | Combination therapies with ire1 small molecule inhibitors | 20190515 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.93543 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.93543 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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