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

CAS: 629-04-9 Cat. No.: B109258 Fórmula: C₇H₁₅Br Peso molecular: 179.1 Beilstein Registry Number: 1697160 Número EC: 211-068-8

GRADE & PURITY ≥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

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504752315
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752315
• Sonrisas canónicas: CCCCCCCBr
• IUPAC Name: 1-bromoheptane
• InChIKey: LSXKDWGTSHCFPP-UHFFFAOYSA-N
• INCHI: 1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3
• Isómeros SMILES: CCCCCCCBr
• WGK Alemania: 3
• RTECS: MI8100000
• Número ONU: 1993
• Peso molecular: 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
    • Clase Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water; Soluble in Ether,Alcohol
• Índice de refracción: 1.4499
• Punto de inflamación (°F): 140 °F
• Punto de inflamación (°C): 60℃
• Punto de ebullición (°C): 180 °C
• Punto de fusión (°C): -58°C
• Peso molecular: 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

Referencias

1. Jin Yang, Qian Chen, Noor Ul Afsar, Liang Ge, Tongwen Xu.  (2023)  Poly(alkyl-biphenyl pyridinium)-Based Anion Exchange Membranes with Alkyl Side Chains Enable High Anion Permselectivity and Monovalent Ion Flux.  Membranes,  13  (2): (188).  [PMID:36837691] [10.3390/membranes13020188]

2. Fangyuan Sun, He Zhang, Jiayi Cai, Fengyu Su, Yanqing Tian, Yan Jun Liu.  (2022)  Selenophene, thiophene, and furan functionalized π-extended viologen derivatives for tunable all-in-one ECDs.  SOLAR ENERGY MATERIALS AND SOLAR CELLS,      [PMID:] [10.1016/j.solmat.2022.112106]

3. Dongren Cai, Guowu Zhan, Jingran Xiao, Shu-Feng Zhou, Ting Qiu.  (2020)  Design and synthesis of novel amphipathic ionic liquids for biodiesel production from soapberry oil.  RENEWABLE ENERGY,      [PMID:] [10.1016/j.renene.2020.12.051]

4. Shengbo Zhu, Yangyang Zhu, Jin Chigan, Yuqiao Fu, Qiang Weng, Xiaoling Niu, Weixing Chen, Ran Chen, Xinbing Chen, Zhongwei An.  (2019)  The effect of terminal epoxy modification on the mesomorphic and thermal stability of biphenyl ester liquid crystals.  LIQUID CRYSTALS,      [PMID:] [10.1080/02678292.2019.1613693]

5. Ning Wang, Qi Wang, Wenjuan Lu, Miaoyan Ru, Yanzhao Yang.  (2019)  Extraction and stripping of platinum (IV) from acidic chloride media using guanidinium ionic liquid.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2019.111040]

6. Yunchang Fan, Xiaojing Li, Ping Shen, Hongxin Cai, Feifei Li, Yongxiang Wang.  (2017)  Highly effective extraction of hydroxycinnamic acids by hydrogen-bonding-functionalized ionic liquids.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2017.01.057]

7. Tang Yimei, Hu Xiaoling, Guan Ping, Li Xiaoqian, Tian Tian.  (2014)  Influence of structural variations on electrical conductivity and solubility of 1-vinyl-3-alkylimidazole halogen ionic liquids.  JOURNAL OF WUHAN UNIVERSITY OF TECHNOLOGY-MATERIALS SCIENCE EDITION,  29  (5): (1090-1097).  [PMID:] [10.1007/s11595-014-1048-7]

8. Hong Yang, Fei Zhang, Bao-Ping Lin, Patrick Keller, Xue-Qin Zhang, Ying Sun, Ling-Xiang Guo.  (2012)  Mesogen-jacketed liquid crystalline polymers and elastomers bearing polynorbornene backbone.  Journal of Materials Chemistry C,  1  (7): (1482-1490).  [PMID:] [10.1039/C2TC00879C]

9. Zhongchen Yang, Shengbo Zhu, Yongliang Liu, Xiaoling Niu, Ran Chen, Yilin Su, Jinhu Yuan, Wenzhi Zhang, Xinbing Chen, Zhongwei An.  (2024)  Effect of Functional Group Positional Isomerization on the Mesomorphic Properties and Thermal Stability of Biphenyl Ester Liquid Crystals.  ChemistrySelect,  9  (1): (e202302977).  [PMID:] [10.1002/slct.202302977]

10. Yu Fang, Qi Shi, Jinping Qu, Xiang Lu.  (2026)  Single molecule coupling of light and thermal for programmable energy storage.  POLYMER,      [PMID:] [10.1016/j.polymer.2026.129684]