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4-Nitrobutan-1-ol - ≥98%, high purity , CAS No.75694-90-5

COA

Grade & Purity:

≥98%

Cas Number: 75694-90-5
Molecular Weight: 119.12
MDL number: MFCD28014135
PubChem CID: 11240463

In stock

Item Number

N770374

Grouped product items
SKU	Size	Availability	Price	Qty
N770374-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$450.90
N770374-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$767.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic 1,3-dipolar compounds
  - Class Allyl-type 1,3-dipolar organic compounds
    - Subclass Organic nitro compounds

Kingdom	Organic compounds
Superclass	Organic 1,3-dipolar compounds
Class	Allyl-type 1,3-dipolar organic compounds
Subclass	Organic nitro compounds
Intermediate Tree Nodes	Not available
Direct Parent	C-nitro compounds
Alternative Parents	Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Alkanolamines Primary alcohols Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as c-nitro compounds. These are compounds having the nitro group, -NO2 (free valence on nitrogen), which is attached to carbon.
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-nitrobutan-1-ol
INCHI	InChI=1S/C4H9NO3/c6-4-2-1-3-5(7)8/h6H,1-4H2
InChIKey	XSOWARLVOQBBOO-UHFFFAOYSA-N
Smiles	C(CCO)C[N+](=O)[O-]
Isomeric SMILES	C(CCO)C[N+](=O)[O-]
PubChem CID	11240463
Molecular Weight	119.12

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	119.120 g/mol
XLogP3	0.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	119.058 Da
Monoisotopic Mass	119.058 Da
Topological Polar Surface Area	66.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	68.200
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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