Hexanoyl chloride - ≥98% , CAS No.142-61-0

CAS: 142-61-0 Cat. No.: H102419 분자식: CH₃(CH₂)₄COCl 분자량: 134.6 Beilstein Registry Number: 506332 EC 번호: 205-549-1

GRADE & PURITY ≥98%

Synonyms

Hexanoyl chloride, >=99% | MFCD00000760 | E78920 | hexanoic acid chloride | J-007671 | FT-0627036 | n-Hexanoyl chloride | EINECS 205-549-1 | pentanecarboxylic acid chloride | hexoylchlorid | caproylchloride | hexanoylchloride | Q27280544 | STR00510 | CAPR

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

개요

Hexanoyl chloride was used in: . total synthesis of (±)-7-butyl-6,8-dihydroxy-3-pentyl-3,4-dihydroisochromen-1-one . asymmetric synthesis of 14-methyl-1-octadecene, the sex pheromone of the peach leafminer moth . preparation of hexanoyl-coated nanofibers dispersible in several organic solvents . total synthesis of natural isocarbostyril ruprechstyril (3-n-pentyl-6-methoxy-8-hydroxy-1(2H)-isoquinolinone), isolated from Ruprechtia tangarana . synthesis of 5-chloro-8-hydroxy-6-methoxy-3-pentylisocoumarin, the 5-chloro analog of naturally occurring 7-chloro-8-hydroxy-6-methoxy-3-pentylisocoumarin, isolated from Tessmannia densiflora

Specifications

동의어

Hexanoyl chloride, >=99% | MFCD00000760 | E78920 | hexanoic acid chloride | J-007671 | FT-0627036 | n-Hexanoyl chloride | EINECS 205-549-1 | pentanecarboxylic acid chloride | hexoylchlorid | caproylchloride | hexanoylchloride | Q27280544 | STR00510 | CAPR

사양 및 순도

≥98%

보관 조건

Room temperature,Argon charged

배송

FedEx DG Service

순수함

≥98%

이름과 식별자

• Pubchem Sid: 508813366
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508813366
• 정식 스마일: CCCCCC(=O)Cl
• IUPAC Name: hexanoyl chloride
• InChIKey: YWGHUJQYGPDNKT-UHFFFAOYSA-N
• INCHI: 1S/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3
• 이성체 SMILES: CCCCCC(=O)Cl
• WGK 독일: 1
• UN 번호: 2920
• 포장 그룹: II
• 분자량: 134.6
• Beilstein: 506332
• Reaxy-Rn: 506332
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506332&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 분류 Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: Acyl halides
• Subclass: Acyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl chlorides
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
• 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

• 용해성: Soluble in ether, chloroform
• 감도: Moisture sensitive.
• 굴절률: 1.426
• 발화점(°F): 122 °F
• 발화점(°C): 50°C(lit.)
• 끓는점(°C): 150-153°C
• 녹는점(°C): -87°C
• 분자량: 134.600 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 134.05 Da
• Monoisotopic Mass: 134.05 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.900
• 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

참고 문헌

1. Hanyu Ren, Andi Guo, Chunhui Luo.  (2023)  Sandwich hydrogel to realize cartilage-mimetic structures and performances from polyvinyl alcohol, chitosan and sodium hyaluronate.  CARBOHYDRATE POLYMERS,      [PMID:38220330] [10.1016/j.carbpol.2023.121738]

2. Yu Xueyi, Hong Haiyi, Li Xiao, Zhao Jia, Qian Hao, Li Sizhong, Lin Zhiyong.  (2023)  The effect of Polysulfone (PSU) grafting copolymers on improving the processability of its composites.  JOURNAL OF POLYMER RESEARCH,  30  (2): (1-13).  [PMID:] [10.1007/s10965-023-03459-2]

3. Yanying Hao, Guyue Wang, Xiaoxue Shui, Anping Tian, Yong Yang, Jin Zhu.  (2021)  Design and synthesis of HFCA-based plasticizers with asymmetrical alkyl chains for poly(vinyl chloride).  JOURNAL OF APPLIED POLYMER SCIENCE,  138  (47): (51410).  [PMID:] [10.1002/app.51410]

4. Yanying Hao, Anping Tian, Jin Zhu, Jinshi Fan, Yong Yang.  (2020)  Synthesis and Evaluation of Bio-Based Plasticizers from 5-Hydroxymethyl-2-Furancarboxylic Acid for Poly(vinyl chloride).  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.0c03356]

5. Kai Wu, Ping Liao, Rongni Du, Qin Zhang, Feng Chen, Qiang Fu.  (2018)  Preparation of a thermally conductive biodegradable cellulose nanofiber/hydroxylated boron nitride nanosheet film: the critical role of edge-hydroxylation.  Journal of Materials Chemistry A,  6  (25): (11863-11873).  [PMID:] [10.1039/C8TA03642J]

6. Sha Deng, Rui Huang, Mi Zhou, Feng Chen, Qiang Fu.  (2016)  Hydrophobic cellulose films with excellent strength and toughness via ball milling activated acylation of microfibrillated cellulose.  CARBOHYDRATE POLYMERS,      [PMID:27577904] [10.1016/j.carbpol.2016.07.101]

7. Wei Shengchao, Lu Dan, Yao Zhilin, Zhu Lijun, Yin Changlong, Xia Daohong.  (2024)  Insight into the Structure of Asphaltene after Its Disaggregation by Chemical Processing.  PETROLEUM CHEMISTRY,  64  (3): (346-356).  [PMID:] [10.1134/S0965544124030113]

8. Zihao Qiu, Gerile Naren, Rui Meng, Rui Liang, Ziyang Chen.  (2025)  Study of the luminescence properties of praseodymium complexes with 1,10-phenanthroline-N-amino acid.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2025.144831]

9. Zihao Qiu, Gerile Naren, Rui Meng, Rui Liang.  (2025)  Structural and luminescence studies of N-acyl amino acid-based praseodymium complexes.  OPTICAL MATERIALS,      [PMID:] [10.1016/j.optmat.2025.116695]

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.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 142-61-0, the molecular formula is C6H11ClO, and the molecular weight is 134.6 g/mol. InChIKey YWGHUJQYGPDNKT-UHFFFAOYSA-N.