2,2-Diphenylpropionitrile - ≥98% , CAS No.5558-67-8

CAS: 5558-67-8 Cat. No.: D154473 Molecular Weight: 207.28 Beilstein Registry Number: 9(4)2537 EC Number: 226-925-1
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
.alpha.,.alpha.-Diphenylpropionitrile | UNII-YKT998Y6UZ | MFCD00001846 | 2,2-Diphenylpropanenitrile | InChI=1/C15H13N/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H | HMS1741N18 | N-2,4-DNP-DL-METHIONINESULFOXIDE | 1,1-Diphenylethyl Cyanide | FT-
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
D154473-1g
3

$15.90

$17.90
Save $2.00 (11.17%)
5g
D154473-5g
5

$56.90

$66.90
Save $10.00 (14.95%)
25g
D154473-25g
4

$154.90

$254.90
Save $100.00 (39.23%)
100g
D154473-100g
2

$529.90

$916.90
Save $387.00 (42.21%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
.alpha., .alpha.-Diphenylpropionitrile | UNII-YKT998Y6UZ | MFCD00001846 | 2, 2-Diphenylpropanenitrile | InChI=1/C15H13N/c1-15(12-16, 13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H, 1H | HMS1741N18 | N-2, 4-DNP-DL-METHIONINESULFOXIDE | 1, 1-Diphenylethyl Cyanide | FT-
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488185760
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488185760
Canonical SmilesCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2
IUPAC Name2,2-diphenylpropanenitrile
InChIKeyDPVHBXFSKLKYIQ-UHFFFAOYSA-N
INCHI1S/C15H13N/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
Isomeric SMILES CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2
Molecular Weight 207.28
Beilstein 9(4)2537
Reaxy-Rn 1955952
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1955952&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassDiphenylacetonitriles
Intermediate Tree Nodes Not available
Direct ParentDiphenylacetonitriles
Alternative Parents Diphenylmethanes  Nitriles  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Diphenylacetonitrile - Diphenylmethane - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as diphenylacetonitriles. These are cyclic aromatic compounds containing a diphenylacetonitrile moiety, which consists of a diphenylmethane linked to and acetonitrile to form 2,2-diphenylacetonitrile.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot NumberCertificate TypeDateItem
G2417234Certificate of AnalysisApr 19, 2024 D154473
G2417247Certificate of AnalysisApr 19, 2024 D154473
F2301133Certificate of AnalysisApr 23, 2023 D154473
F2301135Certificate of AnalysisApr 23, 2023 D154473
F2301137Certificate of AnalysisApr 23, 2023 D154473
F2301140Certificate of AnalysisApr 23, 2023 D154473
F2301141Certificate of AnalysisApr 23, 2023 D154473
F2301142Certificate of AnalysisApr 23, 2023 D154473
F2301146Certificate of AnalysisApr 23, 2023 D154473
F2301311Certificate of AnalysisApr 23, 2023 D154473
Chemical and Physical Properties
Refractive Index1.57
Flash Point(°F)230°F
Flash Point(°C)>110°C
Boil Point(°C)142°C/2mmHg(lit.)
Molecular Weight207.270 g/mol
XLogP33.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass207.105 Da
Monoisotopic Mass207.105 Da
Topological Polar Surface Area23.800 Ų
Heavy Atom Count16
Formal Charge0
Complexity242.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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