3,4-Dibromobenzonitrile - CAS 188984-35-2
Catalog: |
BB076898 |
Product Name: |
3,4-Dibromobenzonitrile |
CAS: |
188984-35-2 |
Synonyms: |
Benzonitrile, 3,4-dibromo- |
IUPAC Name: | 3,4-dibromobenzonitrile |
Molecular Weight: | 260.92 |
Molecular Formula: | C7H3Br2N |
Canonical SMILES: | C1=CC(=C(C=C1C#N)Br)Br |
InChI: | InChI=1S/C7H3Br2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H |
InChI Key: | WODPYGNFQNGQJU-UHFFFAOYSA-N |
Boiling Point: | 279.0±20.0°C (Predicted) |
Purity: | ≥95% |
Density: | 2.06±0.1 g/cm3 (Predicted) |
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 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.86117 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.86322 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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