1-클로로헥산 - ≥98% , CAS No.544-10-5

CAS: 544-10-5 Cat. No.: C109280 분자식: C₆H₁₃Cl 분자량: 120.62 Beilstein Registry Number: 1731289 EC 번호: 208-859-5

GRADE & PURITY ≥98%

Synonyms

1-클로로헥산, 96% | SCHEMBL51706 | EC 208-859-5 | 일반-염화헥실 | 1-클로로헥산, 분석 표준 | R5L7I6O9NW | InChI=1/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3 | 1-CHLOROHEXANE [MI] | 염화헥실 | STL481900 | 1-CHLOROHEXANE | 1-Chloro-hexane

Storage

Argon charged,Room temperature

Shipped In

보통

Specifications

동의어

1-클로로헥산, 96% | SCHEMBL51706 | EC 208-859-5 | 일반-염화헥실 | 1-클로로헥산, 분석 표준 | R5L7I6O9NW | InChI=1/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3 | 1-CHLOROHEXANE [MI] | 염화헥실 | STL481900 | 1-CHLOROHEXANE | 1-Chloro-hexane

사양 및 순도

≥98%

보관 조건

Argon charged,Room temperature

배송

보통

순수함

≥98%

이름과 식별자

Pubchem Sid

504752045

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752045

정식 스마일

CCCCCCCl

IUPAC Name

1-chlorohexane

InChIKey

MLRVZFYXUZQSRU-UHFFFAOYSA-N

INCHI

1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3

이성체 SMILES

CCCCCCCl

WGK 독일

1

UN 번호

1993

포장 그룹

I

분자량

120.62

Beilstein

1731289

Reaxy-Rn

1731289

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731289&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 분류 Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water, soluble in most organic solvents such as methanol, ethanol, benzene, and oils.
• 감도: Moisture sensitive
• 굴절률: 1.419
• 발화점(°F): 80.6 °F
• 발화점(°C): 27 °C
• 끓는점(°C): 133-134°C
• 녹는점(°C): -94°C
• 분자량: 120.620 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 120.071 Da
• Monoisotopic Mass: 120.071 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 27.400
• 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