4-(Bromomethyl)benzonitrile - CAS 17201-43-3
Catalog: |
BB012786 |
Product Name: |
4-(Bromomethyl)benzonitrile |
CAS: |
17201-43-3 |
Synonyms: |
4-(bromomethyl)benzonitrile |
IUPAC Name: | 4-(bromomethyl)benzonitrile |
Description: | A benzyl halide as postemergence herbicides. |
Molecular Weight: | 196.04 |
Molecular Formula: | C8H6BrN |
Canonical SMILES: | C1=CC(=CC=C1CBr)C#N |
InChI: | InChI=1S/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2 |
InChI Key: | UMLFTCYAQPPZER-UHFFFAOYSA-N |
Boiling Point: | 283.2 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.51 g/cm3 |
Appearance: | White to light yellow crystal powde |
MDL: | MFCD00001829 |
LogP: | 2.45318 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P280, P285, P301+P330+P331, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P321, P342+P311, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21135954 | 20110101 | Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies | Metallomics : integrated biometal science |
19883111 | 20091203 | New building block for C(3) symmetry molecules: synthesis of s-triazine-based redox active chromophores | Organic letters |
21583501 | 20090708 | 6-(4-Nitro-benz-yloxy)quinoline | Acta crystallographica. Section E, Structure reports online |
21583126 | 20090514 | 4-(6-Quinolyl-oxymeth-yl)benzonitrile | Acta crystallographica. Section E, Structure reports online |
21583977 | 20090430 | Dimethyl 1-(4-cyano-benz-yl)-1H-pyrazole-3,5-dicarboxyl-ate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.96836 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.96836 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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