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2-Nitroethanol - 90%, high purity , CAS No.625-48-9

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2-Nitroethanol - 90%, high purity , CAS No.625-48-9

1 Citations

COA

Grade & Purity:

≥90%

Cas Number: 625-48-9
Molecular Weight: 91.07
Beilstein Registry Number: 1633753
EC Number: 210-895-1
MDL number: MFCD00007405
PubChem CID: 12252
PubChem SID: 488181594

In stock

Item Number

N110256

Grouped product items
SKU	Size	Availability	Price
N110256-1g	1g	9	$14.90
N110256-5g	5g	9	$54.90
N110256-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$97.90
N110256-25g	25g	3	$182.90
N110256-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$656.90

View related series

alcohol (850) Non heterocyclic block (8163)

Basic Description

Synonyms	NCGC00091621-01 \| beta-Nitroalcohol \| BRN 1633753 \| EN300-23939 \| Q22668732 \| beta-Nitroethanol \| CCRIS 6076 \| InChI=1/C2H5NO3/c4-2-1-3(5)6/h4H,1-2H \| DTXCID805751 \| Ethanol, 2-nitro- \| .beta.-Nitroethanol \| MLS002152877 \| N0368 \| NCGC00091621-02 \| .beta.
Specifications & Purity	≥90%
Storage Temp	Argon charged
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 Organopnictogen compounds Organic zwitterions 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 - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488181594
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181594
IUPAC Name	2-nitroethanol
INCHI	InChI=1S/C2H5NO3/c4-2-1-3(5)6/h4H,1-2H2
InChIKey	KIPMDPDAFINLIV-UHFFFAOYSA-N
Smiles	C(CO)[N+](=O)[O-]
Isomeric SMILES	C(CO)[N+](=O)[O-]
WGK Germany	3
RTECS	KL9370000
Molecular Weight	91.07
Beilstein	1633753
Reaxy-Rn	1633753
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1633753&ln=

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.

4 results found

Lot Number	Certificate Type	Date	Item
D2321397	Certificate of Analysis	Nov 23, 2021	N110256
L2427123	Certificate of Analysis	Nov 23, 2021	N110256
D2321410	Certificate of Analysis	Nov 23, 2021	N110256
D2321419	Certificate of Analysis	Nov 23, 2021	N110256

Chemical and Physical Properties

Solubility	Soluble in water; Soluble in Ethanol,Ether
Sensitivity	Moisture sensitive
Refractive Index	1.445
Flash Point(°F)	>235.4 °F
Flash Point(°C)	113 °C
Boil Point(°C)	194°C
Melt Point(°C)	-80°C
Molecular Weight	91.070 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	91.0269 Da
Monoisotopic Mass	91.0269 Da
Topological Polar Surface Area	66.100 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	47.200
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Fu Fengping, He Qian, Zhao Shizheng, Zhu Ting, Liao Fang. (2021) Synthesis of photoluminescent m-phenylenediamine-Rhodamine B copolymer dots: selective ultrahigh photocatalytic performance for catalytic reduction of nitro-compound. RESEARCH ON CHEMICAL INTERMEDIATES, 47 (10): (4173-4192).

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