1-Bromo-1-propene (cis- and trans- mixture) - ≥97%(GC) , CAS No.590-14-7

CAS: 590-14-7 Cat. No.: B151977 Molecular Weight: 120.98 Beilstein Registry Number: 1719100 EC Number: 209-671-6

GRADE & PURITY ≥97%(GC)

Synonyms

AKOS028109014 | 1-bromoprop-1-ene | Bromo-1-propene | FT-0607429 | A801548 | AB00109 | NNQDMQVWOWCVEM-UHFFFAOYSA-N | 1-bromo 1-propene | 1-propene, 1-bromo-, (1Z)- | bromopropene | 1-Bromopropene | alpha-bromopropene | FT-0694222 | 1 -bromopropene | B1038

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AKOS028109014 | 1-bromoprop-1-ene | Bromo-1-propene | FT-0607429 | A801548 | AB00109 | NNQDMQVWOWCVEM-UHFFFAOYSA-N | 1-bromo 1-propene | 1-propene, 1-bromo-, (1Z)- | bromopropene | 1-Bromopropene | alpha-bromopropene | FT-0694222 | 1 -bromopropene | B1038

Specifications & Purity

≥97%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 504752154
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752154
• Canonical Smiles: CC=CBr
• IUPAC Name: 1-bromoprop-1-ene
• InChIKey: NNQDMQVWOWCVEM-UHFFFAOYSA-N
• INCHI: 1S/C3H5Br/c1-2-3-4/h2-3H,1H3
• Isomeric SMILES: CC=CBr
• WGK Germany: 3
• RTECS: UC7080000
• Alternate CAS: 590-15-8
• Molecular Weight: 120.98
• Beilstein: 1719100
• Reaxy-Rn: 1719096
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719096&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Vinyl halides
      • Subclass Vinyl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Vinyl halides
• Subclass: Vinyl bromides
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinyl bromides
• Alternative Parents: Bromoalkenes Organobromides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Bromoalkene - Haloalkene - Vinyl bromide - Hydrocarbon derivative - Organobromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as vinyl bromides. These are vinyl halides in which a bromine atom is bonded to an sp2-hybridised carbon 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

Chemical and Physical Properties

• Sensitivity: air & light & heat sensitive
• Refractive Index: 1.45
• Flash Point(°F): 39.2 °F
• Flash Point(°C): 4°C(lit.)
• Boil Point(°C): 58-63°C
• Melt Point(°C): -116 °C
• Molecular Weight: 120.980 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 119.957 Da
• Monoisotopic Mass: 119.957 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 22.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Simei Peng, Linyuan Luo, Renzhao Wu, Zhuwu Yi, Yishun Wuliu, Pu Shi, Jin Zhu, Jianxiang Feng, Yuejun Liu.  (2023)  Study on scratch behavior and application of a novel cardanol-based additive in polypropylene.  TRIBOLOGY INTERNATIONAL,      [PMID:] [10.1016/j.triboint.2023.108243]

2. Xin-jie Chen, Jian Li, Chen-yi Wang, Qiang Ren.  (2021)  Cross-linking fluorene copolymers via thiol-ene click chemistry.  SYNTHETIC METALS,      [PMID:] [10.1016/j.synthmet.2021.116936]

3. Yuxin Zhao, Helong Si, Xinyao Zhao, Hongya Li, Jing Ren, Shuna Li, Quan Wang, Jinlin Zhang.  (2021)  Fabrication of an allyl-β-cyclodextrin based monolithic column with triallyl isocyanurate as co-crosslinker and its application in separation of lipopeptide antibiotics by HPLC.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2021.106462]

4. Wanli Kang, Yongbo Gao, Xuechen Tang, Changxiao Cao, Leilei Hu, Hongbin Yang.  (2019)  Polymer concentration detection method based on fluorescent polymer to evaluate its retention and percolation.  JOURNAL OF APPLIED POLYMER SCIENCE,  136  (19): (47468).  [PMID:] [10.1002/app.47468]

5. Xin Tang, Zaixing Zhang, Lingxiao Jing, Kun Luan, Tonghua Zhang, Sha Zhou, Yifan Zhu, Lifan Li, Jiapeng Ye.  (2024)  Synthesis of a Quaternary Ammonium-Halamine and Preparation on the Modified Nanofibrous Filter with Superior Sterilization, Air Filtration, and Biodegradability.  ACS Applied Materials & Interfaces,      [PMID:39428615] [10.1021/acsami.4c12239]