Isoamyl Nitrate - ≥98%(GC) , CAS No.543-87-3

CAS: 543-87-3 Cat. No.: I157464 Molecular Weight: 133.15 Beilstein Registry Number: 1(4)1683 EC Number: 208-852-7
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GRADE & PURITY ≥98%(GC)
Synonyms
1-Butanol, 3-methyl-, nitrate | isoamylnitrat | 1-Butanol, 3-methyl-, 1-nitrate | Nitrito d'amile | EINECS 208-852-7 | ISOAMYL NITRATE [MI] | 3-Methylbutyl nitrate | InChI=1/C5H11NO3/c1-5(2)3-4-9-6(7)8/h5H,3-4H2,1-2H3 | Q27266852 | ISOPENTYL ALCOHOL, NITR
Storage
Room temperature,Argon charged
Shipped In
FedEx DG Service
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Size
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1g
I157464-1g
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5g
I157464-5g
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Why this grade

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

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Storage & shipping

Room temperature,Argon charged Ships FedEx DG Service Check lot-specific COA for exact specifications.

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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.

Specifications

Synonyms
1-Butanol, 3-methyl-, nitrate | isoamylnitrat | 1-Butanol, 3-methyl-, 1-nitrate | Nitrito d'amile | EINECS 208-852-7 | ISOAMYL NITRATE [MI] | 3-Methylbutyl nitrate | InChI=1/C5H11NO3/c1-5(2)3-4-9-6(7)8/h5H, 3-4H2, 1-2H3 | Q27266852 | ISOPENTYL ALCOHOL, NITR
Specifications & Purity
≥98%(GC)
Storage
Room temperature, Argon charged
Shipped In
FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%(GC)
Names and Identifiers
Pubchem Sid504752042
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752042
Canonical SmilesCC(C)CCO[N+](=O)[O-]
IUPAC Name3-methylbutyl nitrate
InChIKeyNTHGIYFSMNNHSC-UHFFFAOYSA-N
INCHI1S/C5H11NO3/c1-5(2)3-4-9-6(7)8/h5H,3-4H2,1-2H3
Isomeric SMILES CC(C)CCO[N+](=O)[O-]
RTECS NT0187000
UN Number 1112
Packing Group III
Molecular Weight 133.15
Beilstein 1(4)1683
Reaxy-Rn 1702824
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702824&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

3D Structure
Interactive Chemical Structure Model





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.

7 results found

Lot NumberCertificate TypeDateItem
H2209344Certificate of AnalysisMay 20, 2026 I157464
A2214535Certificate of AnalysisOct 21, 2025 I157464
D2101075Certificate of AnalysisJan 09, 2025 I157464
H2426199Certificate of AnalysisJun 26, 2024 I157464
J2428647Certificate of AnalysisJun 26, 2024 I157464
J2428663Certificate of AnalysisJun 26, 2024 I157464
A2214536Certificate of AnalysisDec 30, 2021 I157464
Chemical and Physical Properties
SolubilitySlightly soluble in water; Soluble in Alcohol,Ether
Sensitivityair & light sensitive
Refractive Index1.41
Boil Point(°C)148℃
Molecular Weight133.150 g/mol
XLogP32.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass133.074 Da
Monoisotopic Mass133.074 Da
Topological Polar Surface Area55.100 Ų
Heavy Atom Count9
Formal Charge0
Complexity86.700
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
Solution Calculators
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