3-Bromo-4-iodobenzonitrile - CAS 1000577-94-5
Catalog: |
BB000052 |
Product Name: |
3-Bromo-4-iodobenzonitrile |
CAS: |
1000577-94-5 |
Synonyms: |
3-bromo-4-iodobenzonitrile; 3-bromo-4-iodobenzonitrile |
IUPAC Name: | 3-bromo-4-iodobenzonitrile |
Description: | 3-Bromo-4-iodobenzonitrile (CAS# 1000577-94-5) is a useful research chemical. |
Molecular Weight: | 307.91 |
Molecular Formula: | C7H3BrIN |
Canonical SMILES: | C1=CC(=C(C=C1C#N)Br)I |
InChI: | InChI=1S/C7H3BrIN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H |
InChI Key: | COMRZEYMBSUAGN-UHFFFAOYSA-N |
Storage: | Keep in dark place, Sealed in dry, 2-8 °C |
LogP: | 2.92538 |
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 |
CN-112094226-A | Nitrogen-containing compound, electronic component, and electronic device | 20200828 |
WO-2021153168-A1 | Compound, light-emitting material and organic light-emitting element | 20200131 |
JP-2018184393-A | Fused ring compound and process for producing the same | 20170424 |
EP-3072943-A1 | Dibenzofuran/carbazole-substituted benzonitriles | 20150326 |
EP-3072943-B1 | Dibenzofuran/carbazole-substituted benzonitriles | 20150326 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 306.84936 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 306.84936 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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