3-Hydroxyglutaronitrile - ≥95% , CAS No.13880-89-2

CAS: 13880-89-2 Cat. No.: H302791 Summenformel: C5H6N2O Molekulargewicht: 110.12 EG-Nummer: 604-095-5
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GRADE & PURITY ≥95%
Synonyms
A807444 | Q27454928 | BUTYL3-CHLOROPROPYLSULFONATE | Z1255419656 | DTXSID30326982 | SY053470 | InChI=1/C5H6N2O/c6-3-1-5(8)2-4-7/h5,8H,1-2H | H0897 | I10215 | 3-Hydroxyglutaronitrile | AKOS016001340 | AS-49431 | FT-0615843 | Pentanedinitrile, 3-hydroxy- |
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
★
Size
Deutschland (EU)
USA*
Price
Qty
250mg
H302791-250mg
—
5 Auf Lager
37,23€
1g
H302791-1g
Auf Bestellung · 8–12 Wochen
110,98€
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice 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

Synonyme
A807444 | Q27454928 | BUTYL3-CHLOROPROPYLSULFONATE | Z1255419656 | DTXSID30326982 | SY053470 | InChI=1/C5H6N2O/c6-3-1-5(8)2-4-7/h5,8H,1-2H | H0897 | I10215 | 3-Hydroxyglutaronitrile | AKOS016001340 | AS-49431 | FT-0615843 | Pentanedinitrile, 3-hydroxy- |
Spezifikationen & Reinheit
≥95%
Storage
Store at 2-8°C,Argon charged
Verschickt in
Wet ice
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Reinheit
≥95%
Namen und Kennungen
Pubchem Sid528759217
Kanonisches LächelnC(C#N)C(CC#N)O
IUPAC Name3-hydroxypentanedinitrile
InChIKeyNMFITULDMUZCQD-UHFFFAOYSA-N
INCHI1S/C5H6N2O/c6-3-1-5(8)2-4-7/h5,8H,1-2H2
Isomere SMILES C(C#N)C(CC#N)O
Molekulargewicht 110.12
Reaxy-Rn 1741801
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1741801&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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
KlasseOrganooxygen compounds
SubclassAlcohols and polyols
Intermediate Tree Nodes Not available
Direct ParentSecondary alcohols
Alternative Parents Nitriles  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Secondary alcohol - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
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.

2 results found

Lot NumberCertificate TypeDatumArtikel
B2626500Certificate of AnalysisDec 09, 2025 H302791
B2626501Certificate of AnalysisDec 09, 2025 H302791
Chemische und physikalische Eigenschaften
EmpfindlichkeitAir Sensitive,Heat Sensitive
Brechungsindex1.46
Siedepunkt (°C)203 °C/11 mmHg
Molekulargewicht110.110 g/mol
XLogP3-1.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass110.048 Da
Monoisotopic Mass110.048 Da
Topological Polar Surface Area67.800 Ų
Heavy Atom Count8
Formal Charge0
Complexity128.000
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
Lösungsrechner
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