Methyl 2-Nitrobenzoate - ≥98%(GC) , CAS No.606-27-9

CAS: 606-27-9 Cat. No.: M158204 分子式: C8H7NO4 分子量: 181.15 Beilstein Registry Number: 9372 EC番号: 210-111-8
注文可能
GRADE & PURITY ≥98%(GC)
Synonyms
methyl-2-nitrobenzoate | MFCD00007136 | AKOS002723459 | Methyl o-nitro benzoate | Benzoic acid, 2-nitro-, methyl ester | NSC4136 | NSC-4136 | DTXSID7060548 | O-NITROBENZOIC ACID METHYL ESTER | FT-0628466 | InChI=1/C8H7NO4/c1-13-8(10)6-4-2-3-5-7(6)9(11)12/
Storage
Room temperature
Shipped In
Normal
★
Size
USA
ドイツ (EU)*
Price
Qty
1g
M158204-1g
5 在庫あり
—
$9.90
5g
M158204-5g
4 在庫あり
—
$10.90
25g
M158204-25g
5 在庫あり
—

$27.90

$41.90
保存 $14.00 (33.41%)
100g
M158204-100g
3 在庫あり
—

$76.90

$115.90
保存 $39.00 (33.65%)
500g
M158204-500g
1 在庫あり
1 在庫あり

$340.90

$511.90
保存 $171.00 (33.40%)
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.

🌡

Storage & shipping

Room temperature Ships Normal 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

同義語
methyl-2-nitrobenzoate | MFCD00007136 | AKOS002723459 | Methyl o-nitro benzoate | Benzoic acid, 2-nitro-, methyl ester | NSC4136 | NSC-4136 | DTXSID7060548 | O-NITROBENZOIC ACID METHYL ESTER | FT-0628466 | InChI=1/C8H7NO4/c1-13-8(10)6-4-2-3-5-7(6)9(11)12/
仕様と純度
≥98%(GC)
保管条件
Room temperature
入荷
Normal
純度
≥98%(GC)
名前と識別子
パブケム・シド
パブケム・シド・ウル
https://pubchem.ncbi.nlm.nih.gov/substance/488184208
カノニカル・スマイル
COC(=O)C1=CC=CC=C1[N+](=O)[O-]
IUPAC Name
methyl 2-nitrobenzoate
InChIKey
AOXPHVNMBPFOFS-UHFFFAOYSA-N
INCHI
1S/C8H7NO4/c1-13-8(10)6-4-2-3-5-7(6)9(11)12/h2-5H,1H3
異性体SMILES
COC(=O)C1=CC=CC=C1[N+](=O)[O-]
WGKドイツ
3
分子量
181.15
Beilstein
9372
Reaxy-Rn
2050101
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2050101&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
SuperclassBenzenoids
分類Benzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentNitrobenzoic acids and derivatives
Alternative Parents Benzoic acid esters  Nitrobenzenes  Nitroaromatic compounds  Benzoyl derivatives  Methyl esters  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Monocarboxylic acids and derivatives  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
説明This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





証明書(CoA、COO、BSE/TSEと分析図)
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.

6 results found

Lot NumberCertificate Type日付商品
H2222006Certificate of AnalysisJun 21, 2022 M158204
H2222007Certificate of AnalysisJun 21, 2022 M158204
H2222008Certificate of AnalysisJun 21, 2022 M158204
H2222009Certificate of AnalysisJun 21, 2022 M158204
H2222010Certificate of AnalysisJun 21, 2022 M158204
K2525093Certificate of AnalysisJun 21, 2022 M158204
化学的性質と物理的性質
屈折率1.54
引火点(°F)235.4 °F
引火点(°C)113 °C
沸点(°C)275°C(lit.)
融点(°C)-13 °C
分子量181.150 g/mol
XLogP31.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass181.038 Da
Monoisotopic Mass181.038 Da
Topological Polar Surface Area72.100 Ų
Heavy Atom Count13
Formal Charge0
Complexity211.000
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
ソリューション計算機
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