1,6-Dibromohexane - ≥97% , CAS No.629-03-8

CAS: 629-03-8 Cat. No.: D106541 분자식: C₆H₁₂Br₂ 분자량: 243.97 Beilstein Registry Number: 1236322 EC 번호: 211-067-2

등급 & 순도 ≥97%

Synonyms

1,6-Dibromhexan;1,6-Dibromohexan;1,6-dibromo-hexan;alpha,omega-dibromohexane;Dibromo-1,6 hexane | EC 211-067-2 | Hexane,6-dibromo- | 1,6-Dibromo-n-hexane | MFCD00000272 | NSC7306 | NSC-7306 | DTXCID2024452 | NSC 7306 | SCHEMBL53228 | 1,6-dibromo hexane |

Storage

Room temperature,Desiccated

Shipped In

Normal

사양

동의어

1,6-Dibromhexan;1,6-Dibromohexan;1,6-dibromo-hexan;alpha,omega-dibromohexane;Dibromo-1,6 hexane | EC 211-067-2 | Hexane,6-dibromo- | 1,6-Dibromo-n-hexane | MFCD00000272 | NSC7306 | NSC-7306 | DTXCID2024452 | NSC 7306 | SCHEMBL53228 | 1,6-dibromo hexane |

사양 및 순도

≥97%

보관 조건

Room temperature,Desiccated

배송

Normal

순수함

≥97%

이름과 식별자

Pubchem Sid

488181641

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181641

정식 스마일

C(CCCBr)CCBr

IUPAC Name

1,6-dibromohexane

InChIKey

SGRHVVLXEBNBDV-UHFFFAOYSA-N

INCHI

1S/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H2

이성체 SMILES

C(CCCBr)CCBr

WGK 독일

3

RTECS

MO1515000

UN 번호

2810

분자량

243.97

Beilstein

1236322

Reaxy-Rn

1236322

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1236322&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 분류 Organobromides

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

화학 및 물리적 특성

• 용해성: Miscible with ethanol, ether, benzene and chloroform. Immiscible with water.
• 굴절률: 1.5066
• 발화점(°F): 235.4 °F
• 발화점(°C): 110 °C
• 끓는점(°C): 243°C
• 녹는점(°C): -2°C
• 분자량: 243.970 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 243.929 Da
• Monoisotopic Mass: 241.931 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 31.500
• 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