1,3-Dibromo-5-(trifluoromethoxy)benzene - CAS 207226-31-1
Catalog: |
BB016221 |
Product Name: |
1,3-Dibromo-5-(trifluoromethoxy)benzene |
CAS: |
207226-31-1 |
Synonyms: |
1,3-dibromo-5-(trifluoromethoxy)benzene |
IUPAC Name: | 1,3-dibromo-5-(trifluoromethoxy)benzene |
Description: | 1,3-Dibromo-5-(trifluoromethoxy)benzene (CAS# 207226-31-1) is a useful research chemical. |
Molecular Weight: | 319.90 |
Molecular Formula: | C7H3Br2F3O |
Canonical SMILES: | C1=C(C=C(C=C1Br)Br)OC(F)(F)F |
InChI: | InChI=1S/C7H3Br2F3O/c8-4-1-5(9)3-6(2-4)13-7(10,11)12/h1-3H |
InChI Key: | UKHOUWWEEAOCTI-UHFFFAOYSA-N |
Boiling Point: | 83 ℃ (20 torr) |
Purity: | 98 % |
Density: | 1.96 g/cm3 |
Appearance: | Colorless clear liquid |
MDL: | MFCD00075280 |
LogP: | 4.11020 |
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-2021026479-A1 | Small molecule inhibitors of s1p2 receptor and uses thereof | 20190807 |
CN-108530240-B | Method for aromatic amine trifluoromethoxylation reaction | 20180409 |
BR-112019012515-A2 | integrin antagonists | 20161229 |
CA-3045491-A1 | Integrin antagonists | 20161229 |
CN-110177787-A | Integrin antagonists | 20161229 |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 319.84822 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 317.85027 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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