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1-Nitrobutane - ≥97% , CAS No.627-05-4

1-Nitrobutane - ≥97% , CAS No.627-05-4

CAS: 627-05-4 Cat. No.: N300420 Molecular Weight: 103.12 EC Number: 210-980-3

COA

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1-Nitrobutane - ≥97% CAS No(627-05-4) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥97%

Synonyms

Storage

Room temperature

Shipped In

FedEx DG Service

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Solution Calculators Reviews

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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships FedEx DG Service 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.

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Literature proof

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

Overview

Product description：

Low-energy velocity map photoelectron imaging of 1-nitrobutane anions by photoelectron spectroscopy has been reported. Hydrothermal reaction of 1-nitrobutane in high-temperature water has been reported.

Specifications

Synonyms

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

Pubchem Sid	504752300
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752300
Canonical Smiles	CCCC[N+](=O)[O-]
IUPAC Name	1-nitrobutane
InChIKey	NALZTFARIYUCBY-UHFFFAOYSA-N
INCHI	1S/C4H9NO2/c1-2-3-4-5(6)7/h2-4H2,1H3
Isomeric SMILES	CCCC[N+](=O)[O-]
WGK Germany	3
RTECS	EK5075000
UN Number	1993
Packing Group	I
Molecular Weight	103.12
Reaxy-Rn	1743017
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743017&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

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 Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - 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	a small molecule
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

3D Structure

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

Mechanisms of Action

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.

3 results found

Lot Number	Certificate Type	Date	Item
G23131125	Certificate of Analysis	Apr 07, 2026	N300420
L2502655	Certificate of Analysis	Nov 25, 2025	N300420
G23131127	Certificate of Analysis	Jun 25, 2023	N300420

Chemical and Physical Properties

Refractive Index	1.410 (lit.)
Flash Point(°F)	111.2 °F
Flash Point(°C)	44 °C
Boil Point(°C)	152-153 °C (lit.)
Melt Point(°C)	−81 °C (lit.)
Molecular Weight	103.120 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	103.063 Da
Monoisotopic Mass	103.063 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	57.200
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

Documents & Articles

Porous Graphitic Carbon (PGC) Chromatography Columns: Creating New Selectivity for Challenging Separations through Molecular Shape and the π-Electron Cloud on the Graphitic Surface

Categories: Technical articles

Tags:

High-performance liquid chromatography Porous Graphitic Carbon

Solution Calculators

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Reviews

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