1,2,3-Propanetricarbonitrile - ≥98%(GC) , CAS No.62872-44-0

CAS: 62872-44-0 Cat. No.: P160517 Molecular Weight: 119.13 Beilstein Registry Number: 2(1)322 EC Number: 678-436-1 PubChem CID: 21248644
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(GC)
Synonyms
AKOS015837547 | propane-1,2,3-tricarbonitrile | T72736 | SCHEMBL68459 | 1,2,3-Propanetricarbonitrile | P1630 | 3-Cyanopentanedinitrile | DTXSID30611608 | MFCD09038541
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
P160517-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$72.90

$109.90
Save $37.00 (33.67%)
1g
P160517-1g
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$230.90

$346.90
Save $116.00 (33.44%)
5g
P160517-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$865.90

$1,298.90
Save $433.00 (33.34%)
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Specifications

Synonyms
AKOS015837547 | propane-1, 2, 3-tricarbonitrile | T72736 | SCHEMBL68459 | 1, 2, 3-Propanetricarbonitrile | P1630 | 3-Cyanopentanedinitrile | DTXSID30611608 | MFCD09038541
Specifications & Purity
≥98%(GC)
Storage
Room temperature
Shipped In
Normal
Purity
≥98%(GC)
Names and Identifiers
Canonical SmilesC(C#N)C(CC#N)C#N
IUPAC Namepropane-1,2,3-tricarbonitrile
InChIKeyMNAMONWYCZEPTE-UHFFFAOYSA-N
INCHI1S/C6H5N3/c7-3-1-6(5-9)2-4-8/h6H,1-2H2
Isomeric SMILES C(C#N)C(CC#N)C#N
PubChem CID 21248644
Molecular Weight 119.13
Beilstein 2(1)322
Reaxy-Rn 1746262

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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilitySoluble in Methanol
Boil Point(°C)158°C/0.1mmHg(lit.)
Melt Point(°C)51 °C
Molecular Weight119.120 g/mol
XLogP3-0.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass119.048 Da
Monoisotopic Mass119.048 Da
Topological Polar Surface Area71.400 Ų
Heavy Atom Count9
Formal Charge0
Complexity196.000
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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