1-Bromoheptane - ≥98% , CAS No.629-04-9

CAS: 629-04-9 Cat. No.: B109258 분자식: C₇H₁₅Br 분자량: 179.1 Beilstein Registry Number: 1697160 EC 번호: 211-068-8

등급 & 순도 ≥98%

Synonyms

A834079 | B0598 | J-504464 | 1219805-66-9 | STL282743 | bromoheptane | bromo-heptane | bromomethylhexane | Heptyl bromide | NSC 7315 | n-heptylbromide | EINECS 211-068-8 | 1-Bromo heptane | 1-Bromoheptane, 99% | MFCD00000273 | 1219802-55-7 | 1 -bromohepta

Storage

Room temperature

Shipped In

Normal

사양

동의어

A834079 | B0598 | J-504464 | 1219805-66-9 | STL282743 | bromoheptane | bromo-heptane | bromomethylhexane | Heptyl bromide | NSC 7315 | n-heptylbromide | EINECS 211-068-8 | 1-Bromo heptane | 1-Bromoheptane, 99% | MFCD00000273 | 1219802-55-7 | 1 -bromohepta

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

504752315

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752315

정식 스마일

CCCCCCCBr

IUPAC Name

1-bromoheptane

InChIKey

LSXKDWGTSHCFPP-UHFFFAOYSA-N

INCHI

1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3

이성체 SMILES

CCCCCCCBr

WGK 독일

3

RTECS

MI8100000

UN 번호

1993

분자량

179.1

Beilstein

1697160

Reaxy-Rn

1697160

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697160&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: Insoluble in water; Soluble in Ether,Alcohol
• 굴절률: 1.4499
• 발화점(°F): 140 °F
• 발화점(°C): 60℃
• 끓는점(°C): 180 °C
• 녹는점(°C): -58°C
• 분자량: 179.100 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• 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: 35.400
• 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