Isobutyl nitrate - ≥98% , CAS No.543-29-3

CAS: 543-29-3 Cat. No.: I334869 Fórmula: C4H9NO3 Peso molecular: 119.12 Número CE: 208-842-2
Disponível para encomenda
GRADE & PURITY ≥98%
Synonyms
isobutylnitrat | EINECS 208-842-2 | Nitric acid, 2-methylpropyl ester | UNII-356EF349VI | AKOS015912697 | ISOBUTYL NITRATE | SCHEMBL324571 | nitric acid isobutyl ester | Q27256428 | Isobutylnitrate | Nitric acid, isobutyl ester | 2-methylpropyl nitrate |
Storage
Store at 2-8°C
Shipped In
Wet ice
★
Size
Alemanha (EU)
USA*
Price
Qty
5ml
I334869-5ml
—
3 Em stock
99,70€
25ml
I334869-25ml
Sob encomenda · 8–12 semanas

347,01€

445,93€
Gravar 98,92 € (22.18%)
50ml
I334869-50ml
—
3 Em stock

580,43€

825,13€
Gravar 244,70 € (29.66%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C 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

Sinónimos
isobutylnitrat | EINECS 208-842-2 | Nitric acid, 2-methylpropyl ester | UNII-356EF349VI | AKOS015912697 | ISOBUTYL NITRATE | SCHEMBL324571 | nitric acid isobutyl ester | Q27256428 | Isobutylnitrate | Nitric acid, isobutyl ester | 2-methylpropyl nitrate |
Especificações e pureza
≥98%
Condições de armazenamento de armazenamento
Store at 2-8°C
Enviado em
Wet ice
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Pureza
≥98%
Nomes e identificadores
Pubchem Sid504752039
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752039
Sorrisos canónicosCC(C)CO[N+](=O)[O-]
IUPAC Name2-methylpropyl nitrate
InChIKeyLNNXFUZKZLXPOF-UHFFFAOYSA-N
INCHI1S/C4H9NO3/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3
SMILES isoméricas CC(C)CO[N+](=O)[O-]
Peso molecular 119.12
Reaxy-Rn 1701848
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1701848&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
ClasseOrganic oxoanionic compounds
SubclassOrganic nitrates
Intermediate Tree Nodes Not available
Direct ParentAlkyl nitrates
Alternative Parents Organic nitro compounds  Organic nitric acids and derivatives  Organooxygen compounds  Organic oxides  Organic nitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Alkyl nitrate - Organic nitro compound - Organic nitric acid or derivatives - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as alkyl nitrates. These are organic compounds containing a nitrate that is O-linked to an alkyl group.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
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 NumberCertificate TypeDataItem
L2518054Certificate of AnalysisDec 25, 2025 I334869
I2216303Certificate of AnalysisJul 05, 2022 I334869
I2216304Certificate of AnalysisJul 05, 2022 I334869
Propriedades químicas e físicas
Ponto de ebulição (°C)123° C (lit.)
Peso molecular119.120 g/mol
XLogP31.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass119.058 Da
Monoisotopic Mass119.058 Da
Topological Polar Surface Area55.100 Ų
Heavy Atom Count8
Formal Charge0
Complexity75.800
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
Calculadoras de soluções
Revisões

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