Ethyl 6-isocyanatohexanoate - ≥98% , CAS No.5100-36-7

CAS: 5100-36-7 Cat. No.: E352484 分子式: OCN(CH2)5CO2C2H5 分子量: 185.22 EC番号: 624-235-9
注文可能
GRADE & PURITY ≥98%
Synonyms
6-isocyanatohexanoic acid ethyl ester | 6-isocyanato-hexanoic acid ethyl ester | ethyl 6-isocyanatocaproate | DTXSID20392535 | Ethyl 6-isocyanatohexanoate | FT-0626147 | A828390 | BP-13247 | Ethyl 6-isocyanatohexanoate, 98% | MFCD00078410 | Ethyl6-isocyan
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
★
Size
USA
ドイツ (EU)*
Price
Qty
1g
E352484-1g
2 在庫あり
—

$45.90

$68.90
保存 $23.00 (33.38%)
5g
E352484-5g
2 在庫あり
—

$168.90

$253.90
保存 $85.00 (33.48%)
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,Argon charged 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

同義語
6-isocyanatohexanoic acid ethyl ester | 6-isocyanato-hexanoic acid ethyl ester | ethyl 6-isocyanatocaproate | DTXSID20392535 | Ethyl 6-isocyanatohexanoate | FT-0626147 | A828390 | BP-13247 | Ethyl 6-isocyanatohexanoate, 98% | MFCD00078410 | Ethyl6-isocyan
仕様と純度
≥98%
保管条件
Store at 2-8°C,Argon charged
入荷
Wet ice
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
純度
≥98%
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/504762565
カノニカル・スマイル
CCOC(=O)CCCCCN=C=O
IUPAC Name
ethyl 6-isocyanatohexanoate
InChIKey
ZCLBSYCOBSMTMV-UHFFFAOYSA-N
INCHI
1S/C9H15NO3/c1-2-13-9(12)6-4-3-5-7-10-8-11/h2-7H2,1H3
異性体SMILES
CCOC(=O)CCCCCN=C=O
WGKドイツ
3
分子量
185.22
Reaxy-Rn
2413826
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2413826&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
SuperclassLipids and lipid-like molecules
分類Fatty Acyls
SubclassFatty acid esters
Intermediate Tree Nodes Not available
Direct ParentFatty acid esters
Alternative Parents Isocyanates  Carboxylic acid esters  Propargyl-type 1,3-dipolar organic compounds  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Fatty acid ester - Isocyanate - Carboxylic acid ester - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
説明This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
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.

5 results found

Lot NumberCertificate Type日付商品
F2520415Certificate of AnalysisFeb 15, 2025 E352484
F2520416Certificate of AnalysisFeb 15, 2025 E352484
G2629696Certificate of AnalysisFeb 15, 2025 E352484
K2204452Certificate of AnalysisOct 11, 2022 E352484
K2204474Certificate of AnalysisOct 11, 2022 E352484
化学的性質と物理的性質
感度Moisture sensitive.
屈折率1.439 (lit.)
沸点(°C)253° C (lit.)
分子量185.220 g/mol
XLogP32.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass185.105 Da
Monoisotopic Mass185.105 Da
Topological Polar Surface Area55.700 Ų
Heavy Atom Count13
Formal Charge0
Complexity185.000
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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