이타코닉 무수물 - ≥95% , CAS No.2170-03-8

CAS: 2170-03-8 Cat. No.: I132081 분자식: C₅H₄O₃ 분자량: 112.08 Beilstein Registry Number: 17(3/4)5913 EC 번호: 218-518-2

GRADE & PURITY ≥95%

Synonyms

Monocalcium orthophosphate | 3-Methylene-dihydro-furan-2,5-dione | Tertiary magnesium phosphate | 3-Methylenedihydro-2,5-furandione | 3-Methylenetetrahydrofuran-2,5-dione;Itaconic anhydride | F0001-0774 | Itaconic anhydride, 95% | DTXSID8062230 | Benzoyl

Storage

2-8°C, 아르곤 충전 상태로 보관

Shipped In

젖은 얼음

개요

이타콘 무수물(ITA)은 재생 가능한 자원에서 얻은 바이오 기반 소재입니다. 구연산의 열분해 또는 탄수화물을 발효시켜 이타노산을 형성하여 생산됩니다. 이타노산은 탈수하여 무수화물을 형성할 수 있습니다. 말레산 무수화물보다 상대적으로 반응성이 높으며 폴리머에 극성 기능을 도입하는 데 용이하게 하는 교번 단량체로 사용할 수 있습니다.

Specifications

동의어

Monocalcium orthophosphate | 3-Methylene-dihydro-furan-2,5-dione | Tertiary magnesium phosphate | 3-Methylenedihydro-2,5-furandione | 3-Methylenetetrahydrofuran-2,5-dione;Itaconic anhydride | F0001-0774 | Itaconic anhydride, 95% | DTXSID8062230 | Benzoyl

사양 및 순도

≥95%

보관 조건

2-8°C, 아르곤 충전 상태로 보관

배송

젖은 얼음

순수함

≥95%

이름과 식별자

Pubchem Sid

508816556

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508816556

정식 스마일

C=C1CC(=O)OC1=O

IUPAC Name

3-methylideneoxolane-2,5-dione

InChIKey

OFNISBHGPNMTMS-UHFFFAOYSA-N

INCHI

1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2

이성체 SMILES

C=C1CC(=O)OC1=O

분자량

112.08

Beilstein

17(3/4)5913

Reaxy-Rn

2212

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Tetrahydrofurans Carboxylic acid anhydrides Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Tetrahydrofuran - Carboxylic acid anhydride - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• External Descriptors: a small molecule

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

관련 대상(인간)

HL-60 (67320 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FNTA Tclin Protein farnesyltransferase (3470 Activities)

Discover Target: FNTA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Hydrolyzes in water.
• 감도: Moisture sensitive
• 끓는점(°C): 115 °C/12 mmHg
• 녹는점(°C): 68 °C
• 분자량: 112.080 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 112.016 Da
• Monoisotopic Mass: 112.016 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 169.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1