3-(4-Aminophenyl)benzonitrile - CAS 443998-73-0
Catalog: |
BB025596 |
Product Name: |
3-(4-Aminophenyl)benzonitrile |
CAS: |
443998-73-0 |
Synonyms: |
3-(4-aminophenyl)benzonitrile |
IUPAC Name: | 3-(4-aminophenyl)benzonitrile |
Description: | 3-(4-Aminophenyl)benzonitrile (CAS# 443998-73-0) is a useful research chemical. |
Molecular Weight: | 194.23 |
Molecular Formula: | C13H10N2 |
Canonical SMILES: | C1=CC(=CC(=C1)C2=CC=C(C=C2)N)C#N |
InChI: | InChI=1S/C13H10N2/c14-9-10-2-1-3-12(8-10)11-4-6-13(15)7-5-11/h1-8H,15H2 |
InChI Key: | CYKMHHNPZOCBKT-UHFFFAOYSA-N |
Boiling Point: | 375.1 °C at 760 mmHg |
Density: | 1.18 g/cm3 |
MDL: | MFCD04117364 |
LogP: | 3.38868 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P362+P364, P391, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
DE-102018201548-A1 | Electrolytic composition for electrochemical cell for high temperature applications | 20180201 |
WO-2019149812-A1 | Electrolyte composition for electrochemical cell for high-temperature applications | 20180201 |
WO-2016036171-A1 | A plurality of host materials and organic electroluminescent devices comprising the same | 20140904 |
WO-2016028110-A1 | A plurality of host materials and an organic electroluminescence device comprising the same | 20140820 |
WO-2016010402-A1 | Organic electroluminescent device | 20140718 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.084398327 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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