4-tert-Butylbenzonitrile - CAS 4210-32-6
Catalog: |
BB025045 |
Product Name: |
4-tert-Butylbenzonitrile |
CAS: |
4210-32-6 |
Synonyms: |
4-tert-butylbenzonitrile |
IUPAC Name: | 4-tert-butylbenzonitrile |
Description: | 4-tert-Butylbenzonitrile (CAS# 4210-32-6) is a useful research chemical. |
Molecular Weight: | 159.23 |
Molecular Formula: | C11H13N |
Canonical SMILES: | CC(C)(C)C1=CC=C(C=C1)C#N |
InChI: | InChI=1S/C11H13N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,1-3H3 |
InChI Key: | IIZURLNRIMKEDL-UHFFFAOYSA-N |
Boiling Point: | 258 °C |
Purity: | 97+ % |
Density: | 0.94 g/cm3 |
Appearance: | Clear colorless liquid |
MDL: | MFCD00075840 |
LogP: | 2.85578 |
GHS Hazard Statement: | H302 (15.22%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-214075127-U | Rectifying device for producing p-tert-butyl benzonitrile | 20201214 |
CN-112195480-A | Method for synthesizing aromatic nitrile by electrocatalysis with aromatic methyl compound as raw material | 20200930 |
CN-112195480-B | Method for synthesizing aromatic nitrile by electrocatalysis with aromatic methyl compound as raw material | 20200930 |
CN-111635334-A | Method for generating nitrile by catalyzing primary amine acceptor-free dehydrogenation through Ru complex | 20200713 |
US-10842798-B1 | Charged ion channel blockers and methods for use | 20191106 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.104799419 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.104799419 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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