4-브로모헵탄 - ≥97% , CAS No.998-93-6

CAS: 998-93-6 Cat. No.: B301016 분자식: C₇H₁₅Br 분자량: 179.1 EC 번호: 213-653-3

등급 & 순도 ≥97%

Synonyms

EINECS 213-653-3 | 4-bromo-heptan | 4-Bromoheptane, AldrichCPR | MFCD00039182 | SY016752 | AKOS005216031 | BS-23227 | DTXSID5061374 | FT-0617891 | SCHEMBL1001541 | 4-Bromoheptane | 4-bromo-heptane | Heptane, 4-bromo- | EN300-1914586

Storage

2-8°C에서 보관

Shipped In

젖은 얼음

사양

동의어

EINECS 213-653-3 | 4-bromo-heptan | 4-Bromoheptane, AldrichCPR | MFCD00039182 | SY016752 | AKOS005216031 | BS-23227 | DTXSID5061374 | FT-0617891 | SCHEMBL1001541 | 4-Bromoheptane | 4-bromo-heptane | Heptane, 4-bromo- | EN300-1914586

사양 및 순도

≥97%

보관 조건

2-8°C에서 보관

배송

젖은 얼음

순수함

≥97%

이름과 식별자

정식 스마일

CCCC(CCC)Br

IUPAC Name

4-bromoheptane

InChIKey

BNUTXEKPXPZAIT-UHFFFAOYSA-N

INCHI

1S/C7H15Br/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3

이성체 SMILES

CCCC(CCC)Br

분자량

179.1

Reaxy-Rn

1697144

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697144&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 carbon tetrachloride, chloroform and benzene. Immiscible with water.
• 발화점(°C): 40°C
• 끓는점(°C): 60-62°/18mmHg
• 분자량: 179.100 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 178.036 Da
• Monoisotopic Mass: 178.036 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 37.700
• 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