Bromopentafluorobenzene - CAS 344-04-7
Catalog: |
BB022120 |
Product Name: |
Bromopentafluorobenzene |
CAS: |
344-04-7 |
Synonyms: |
Benzene, 1-bromo-2,3,4,5,6-pentafluoro-; Benzene, bromopentafluoro-; 1,2,3,4,5-Pentafluoro-6-bromobenzene; Bromoperfluorobenzene; NSC 21630; Pentafluorobromobenzene; Pentafluorophenyl bromide |
IUPAC Name: | 1-bromo-2,3,4,5,6-pentafluorobenzene |
Description: | Bromopentafluorobenzene (CAS# 344-04-7) is a polyfluorinated chemical that is widely distributed in the environment and released because of its use in different household and industrial products. Bromopentafluorobenzene is also used in the synthesis of phenylproparginols which have herbicidal activity. |
Molecular Weight: | 246.96 |
Molecular Formula: | C6BrF5 |
Canonical SMILES: | C1(=C(C(=C(C(=C1F)F)Br)F)F)F |
InChI: | InChI=1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9 |
InChI Key: | XEKTVXADUPBFOA-UHFFFAOYSA-N |
Boiling Point: | 137°C |
Melting Point: | -31°C |
Purity: | ≥95% |
Density: | 1.9503 g/cm³ |
Solubility: | Soluble in Chloroform (Sparingly), Methanol (Slightly) |
Appearance: | Colorless Liquid |
Storage: | Store at 2-8°C |
MDL: | MFCD00000287 |
LogP: | 3.14460 |
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 |
EP-3771737-A1 | Organic molecules in particular for use in optoelectronic devices | 20190730 |
WO-2021020798-A1 | Heterocyclic compound and organic light-emitting device comprising same | 20190726 |
WO-2020027258-A1 | Production method for fluorinated aromatic secondary amine compound | 20180803 |
WO-2020011258-A1 | Crystal form of salt of fused tricyclic γ-amino acid derivative and preparation and use thereof | 20180712 |
WO-2019203182-A1 | Copolymer for antifouling coating composition and antifouling coating composition containing said copolymer | 20180420 |
PMID | Publication Date | Title | Journal |
21579055 | 20100424 | Dichlorido[2,3,5,6-tetra-fluoro-4-(tri-fluoro-meth-yl)phenyl-κC]bis-(tri-methyl-phosphine-κP)cobalt(III) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.91035 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.91035 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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