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4-Hydroxybutanenitrile - ≥98%, high purity , CAS No.628-22-8

COA

Grade & Purity:

≥98%

Cas Number: 628-22-8
Molecular Weight: 85.11
EC Number: 659-527-5
PubChem CID: 220705

In stock

Item Number

H696403

Grouped product items
SKU	Size	Availability	Price
H696403-50mg	50mg	4	$66.90
H696403-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$233.90
H696403-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$648.90

View related series

Fatty chain compounds (194)

Basic Description

Synonyms	4-Hydroxy-Butyronitrile \| Nsc3805
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Organic cyanides

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Organic cyanides
Intermediate Tree Nodes	Not available
Direct Parent	Nitriles
Alternative Parents	Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Nitrile - Carbonitrile - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	4-hydroxybutanenitrile
INCHI	InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2
InChIKey	BAQQRABCRRQRSR-UHFFFAOYSA-N
Smiles	C(CC#N)CO
Isomeric SMILES	C(CC#N)CO
Alternate CAS	628-22-8
NSC Number	3805
Molecular Weight	85.11

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
F2524740	Certificate of Analysis	Jun 14, 2025	H696403
F2520666	Certificate of Analysis	Jun 14, 2025	H696403
F2520668	Certificate of Analysis	Jun 14, 2025	H696403
F2520672	Certificate of Analysis	Jun 14, 2025	H696403
F2524737	Certificate of Analysis	Jun 14, 2025	H696403
F2520662	Certificate of Analysis	Jun 14, 2025	H696403

Chemical and Physical Properties

Molecular Weight	85.100 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	85.0528 Da
Monoisotopic Mass	85.0528 Da
Topological Polar Surface Area	44.000 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	61.200
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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