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

CAS: 543-29-3 Cat. No.: I334869 분자식: C4H9NO3 분자량: 119.12 EC 번호: 208-842-2
주문 가능
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
USA
독일 (EU)*
Price
Qty
5ml
I334869-5ml
3 재고 있음
—
US$114.90
25ml
I334869-25ml
주문제작 · 8~12주

US$399.90

US$513.90
저장 US$114.00 (22.18%)
50ml
I334869-50ml
3 재고 있음
—

US$668.90

US$950.90
저장 US$282.00 (29.66%)
Enter a quantity for the sizes you want to add.
🧪
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

동의어
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 |
사양 및 순도
≥98%
보관 조건
Store at 2-8°C
배송
Wet ice
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
순수함
≥98%
이름과 식별자
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752039
정식 스마일
CC(C)CO[N+](=O)[O-]
IUPAC Name
2-methylpropyl nitrate
InChIKey
LNNXFUZKZLXPOF-UHFFFAOYSA-N
INCHI
1S/C4H9NO3/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3
이성체 SMILES
CC(C)CO[N+](=O)[O-]
분자량
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
분류Organic 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
설명This 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
3D 구조
상호 작용 화학 구조 모델





작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
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 Type날짜항목
L2518054Certificate of AnalysisDec 25, 2025 I334869
I2216303Certificate of AnalysisJul 05, 2022 I334869
I2216304Certificate of AnalysisJul 05, 2022 I334869
화학 및 물리적 특성
끓는점(°C)123° C (lit.)
분자량119.120 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
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