2-Ethylhexyl isocyanate - ≥98% , CAS No.20392-34-1

CAS: 20392-34-1 Cat. No.: E472325 분자식: C₉H₁₇NO 분자량: 155.24 EC 번호: 627-264-5

GRADE & PURITY ≥98%

Synonyms

MFCD10566940 | 2-ETHYLHEXYL ISOCYANATE | Heptane, 3-(isocyanatomethyl)- | DTXSID30504400 | SCHEMBL130738 | GEO-03755 | 2-Ethylhexyl isocyanate, 98% | AKOS015912858 | 2-Ethylhexylisocyanate | 3-(ISOCYANATOMETHYL)HEPTANE | BHDCTKUOBUNTTP-UHFFFAOYSA-N | J-01

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

MFCD10566940 | 2-ETHYLHEXYL ISOCYANATE | Heptane, 3-(isocyanatomethyl)- | DTXSID30504400 | SCHEMBL130738 | GEO-03755 | 2-Ethylhexyl isocyanate, 98% | AKOS015912858 | 2-Ethylhexylisocyanate | 3-(ISOCYANATOMETHYL)HEPTANE | BHDCTKUOBUNTTP-UHFFFAOYSA-N | J-01

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

• 정식 스마일: CCCCC(CC)CN=C=O
• IUPAC Name: 3-(isocyanatomethyl)heptane
• InChIKey: BHDCTKUOBUNTTP-UHFFFAOYSA-N
• INCHI: 1S/C9H17NO/c1-3-5-6-9(4-2)7-10-8-11/h9H,3-7H2,1-2H3
• 이성체 SMILES: CCCCC(CC)CN=C=O
• WGK 독일: 3
• 분자량: 155.24
• Reaxy-Rn: 1760188
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1760188&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Isocyanates

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Isocyanates
• Intermediate Tree Nodes: Not available
• Direct Parent: Isocyanates
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as isocyanates. These are organic compounds containing the isocyanic acid tautomer, HN=C=O, of cyanic acid, HOC#N or its hydrocarbyl derivatives RN=C=O.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 감도: Moisture sensitive
• 굴절률: n20/D 1.4320 (lit.)
• 발화점(°F): 158 °F
• 발화점(°C): 70 °C
• 끓는점(°C): 190 °C (lit.)
• 분자량: 155.240 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 155.131 Da
• Monoisotopic Mass: 155.131 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 128.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.