2,5-Dibromobenzotrifluoride - CAS 7657-09-2
Catalog: |
BB035619 |
Product Name: |
2,5-Dibromobenzotrifluoride |
CAS: |
7657-09-2 |
Synonyms: |
Benzene, 1,4-dibromo-2-(trifluoromethyl)-; Toluene, 2,5-dibromo-α,α,α-trifluoro-; 2,5-Dibromo(trifluoromethyl)benzene; 2,5-Dibromo-1-(trifluoromethyl)benzene; 2,5-Dibromo-α,α,α-trifluorotoluene; NSC 88275 |
IUPAC Name: | 1,4-dibromo-2-(trifluoromethyl)benzene |
Description: | 2,5-Dibromobenzotrifluoride (CAS# 7657-09-2) can be used to prepare for use as anti-cancer agents. It can also be used as a novel anhydride compound to prepare polyamic acid and polyimide. |
Molecular Weight: | 303.90 |
Molecular Formula: | C7H3Br2F3 |
Canonical SMILES: | C1=CC(=C(C=C1Br)C(F)(F)F)Br |
InChI: | InChI=1S/C7H3Br2F3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H |
InChI Key: | VWKFJAOCLPPQGR-UHFFFAOYSA-N |
Boiling Point: | 206-207°C |
Melting Point: | 49-50°C |
Purity: | ≥95% |
Density: | 1.956±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | White to light yellow powder to lump |
Storage: | Store at RT |
MDL: | MFCD00013554 |
LogP: | 4.23040 |
GHS Hazard Statement: | H302 (16.67%): 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, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109880065-B | Conjugated polymer containing trifluoromethyl as well as preparation method and application thereof | 20190226 |
WO-2020157199-A1 | Annulated dihydropyridazinone compounds as anti-cancer compounds | 20190201 |
WO-2016063300-A1 | Process for the preparation of substituted benzotrihalide | 20141020 |
CA-2872948-A1 | Alpha-carbolines for the treatment of cancer | 20120511 |
CN-104540823-B | Alpha-carbolines for the treatment of cancer | 20120511 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 303.85331 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.85536 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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