Diphenylacetonitrile - CAS 86-29-3
Catalog: |
BB037882 |
Product Name: |
Diphenylacetonitrile |
CAS: |
86-29-3 |
Synonyms: |
Benzeneacetonitrile, α-phenyl-; Acetonitrile, diphenyl-; α-Phenylbenzeneacetonitrile; Benzhydryl cyanide; Dipan; Diphenatrile; Diphenyl-α-cyanomethane; Diphenylmethyl cyanide; NSC 130268; NSC 884; α-Phenylbenzyl cyanide; α-Phenylphenylacetonitrile |
IUPAC Name: | 2,2-diphenylacetonitrile |
Description: | Diphenylacetonitrile is used as an herbicide. |
Molecular Weight: | 193.24 |
Molecular Formula: | C14H11N |
Canonical SMILES: | C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2 |
InChI: | InChI=1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H |
InChI Key: | NEBPTMCRLHKPOB-UHFFFAOYSA-N |
Boiling Point: | 182-184°C at 11 Torr |
Melting Point: | 73-74°C |
Flash Point: | 120°C |
Purity: | ≥95% |
Density: | 1.076±0.06 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to creamy or faint yellow crystalline powder |
Storage: | Store at -20°C under inert atmosphere |
MDL: | MFCD00001862 |
LogP: | 3.34208 |
Refractive Index: | 1.584 |
Stability: | Stable under normal temperatures and pressures. |
Vapor Pressure: | 0.000102 [mmHg] |
GHS Hazard Statement: | H301 (53.57%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112679961-A | Special material for high-strength flame-retardant cable and preparation method thereof | 20201225 |
CN-112010777-A | Method for continuously preparing nitrile from amide in pipeline reactor | 20200820 |
CN-112028726-A | Method for continuously preparing nitrile from amide | 20200818 |
CN-112028793-A | Method for preparing nitrile by bismuth complex catalytic amide dehydration | 20200817 |
CN-111668536-A | Preparation method of metal aluminum-cyano organic matter secondary battery | 20200527 |
PMID | Publication Date | Title | Journal |
21509804 | 20110501 | Synthesis and structure-activity relationships of a novel class of dithiocarbamic acid esters as anticancer agent | Archiv der Pharmazie |
16035002 | 20050919 | Addition of nitriles to alkaline earth metal complexes of 1,2-bis[(phenyl)imino]acenaphthenes | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.089149355 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.089149355 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS