2-Methyl-2-nitropropane - ≥98%(GC) , CAS No.594-70-7

CAS: 594-70-7 Cat. No.: M157780 Molecular Weight: 103.12 Beilstein Registry Number: 1(4)301 EC Number: 209-851-4
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(GC)
Synonyms
EINECS 209-851-4 | NSC3651 | NSC-3651 | D91469 | EN300-818759 | CCRIS 5044 | 9DKH5L679Z | InChI=1/C4H9NO2/c1-4(2,3)5(6)7/h1-3H | MFCD00007393 | 2-METHYL-2-NITROPROPANE | 2-methyl-2-nitro-propane | tert-BuNO2 | 2-Methyl-2-nitropropane, 99% | DTXSID0060488
Storage
Store at 2-8°C
Shipped In
Wet ice
Size
USA
Germany (EU)*
Price
Qty
1g
M157780-1g
Made to order · 8–12 wks
$13.90
5g
M157780-5g
1 In stock
$54.90
25g
M157780-25g
2 In stock
$166.90
100g
M157780-100g
1 In stock
$660.90
Enter a quantity for the sizes you want to add.
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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

Store at 2-8°C Ships Wet ice 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.

Overview

Photodissociation of 2-methyl-2-nitropropane at 193 and 248nm leads to the formation of OH fragment and electronically excited NO2. Hydrolysis reaction of 2-methyl-2-nitropropane in the presence of platinum-alumina catalyst yields N2O.

Specifications

Synonyms
EINECS 209-851-4 | NSC3651 | NSC-3651 | D91469 | EN300-818759 | CCRIS 5044 | 9DKH5L679Z | InChI=1/C4H9NO2/c1-4(2,3)5(6)7/h1-3H | MFCD00007393 | 2-METHYL-2-NITROPROPANE | 2-methyl-2-nitro-propane | tert-BuNO2 | 2-Methyl-2-nitropropane, 99% | DTXSID0060488
Specifications & Purity
≥98%(GC)
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%(GC)
Names and Identifiers
Pubchem Sid504752175
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752175
Canonical SmilesCC(C)(C)[N+](=O)[O-]
IUPAC Name2-methyl-2-nitropropane
InChIKeyAIMREYQYBFBEGQ-UHFFFAOYSA-N
INCHI1S/C4H9NO2/c1-4(2,3)5(6)7/h1-3H3
Isomeric SMILES CC(C)(C)[N+](=O)[O-]
WGK Germany 3
Molecular Weight 103.12
Beilstein 1(4)301
Reaxy-Rn 1744184
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744184&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 1,3-dipolar compounds
ClassAllyl-type 1,3-dipolar organic compounds
SubclassOrganic nitro compounds
Intermediate Tree Nodes Not available
Direct ParentC-nitro compounds
Alternative Parents Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic 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
DescriptionThis 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
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.

11 results found

Lot NumberCertificate TypeDateItem
K2230891Certificate of AnalysisSep 02, 2026 M157780
K2230892Certificate of AnalysisSep 02, 2026 M157780
K2230893Certificate of AnalysisSep 02, 2026 M157780
G2107189Certificate of AnalysisApr 03, 2025 M157780
G2107190Certificate of AnalysisApr 03, 2025 M157780
G2107191Certificate of AnalysisApr 03, 2025 M157780
J2522419Certificate of AnalysisJul 01, 2024 M157780
J2522420Certificate of AnalysisJul 01, 2024 M157780
B2602065Certificate of AnalysisSep 09, 2022 M157780
E2628093Certificate of AnalysisSep 09, 2022 M157780
H2229662Certificate of AnalysisSep 01, 2022 M157780

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Chemical and Physical Properties
SolubilitySoluble in ether, ethanol, benzene, insoluble in water.
Refractive Index1.4
Flash Point(°F)66.2 °F
Flash Point(°C)19 °C
Boil Point(°C)126-127 °C
Melt Point(°C)24 °C
Molecular Weight103.120 g/mol
XLogP31.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass103.063 Da
Monoisotopic Mass103.063 Da
Topological Polar Surface Area45.800 Ų
Heavy Atom Count7
Formal Charge0
Complexity76.700
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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