Vinylbenzyl chloride - ≥95%, mixture of isomers , CAS No.30030-25-2

CAS: 30030-25-2 Cat. No.: V303368 Molecular Weight: 152.62 EC Number: 250-005-9

GRADE & PURITY ≥95%, mixture of isomers

Synonyms

3-CHLORO-3-PHENYL-1-PROPENE | TETRAHYDROCANNABINOL-7-OICACID | Vinyl benzyl chloride | J-512209 | 1-phenylallyl-chloride | 1-chloroprop-2-enylbenzene | vinylbenzylchloride | starbld0007664 | 3(4)-Chloromethylstyrene(vbc);96% | AKOS006287742 | (Chloromethy

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

3-CHLORO-3-PHENYL-1-PROPENE | TETRAHYDROCANNABINOL-7-OICACID | Vinyl benzyl chloride | J-512209 | 1-phenylallyl-chloride | 1-chloroprop-2-enylbenzene | vinylbenzylchloride | starbld0007664 | 3(4)-Chloromethylstyrene(vbc);96% | AKOS006287742 | (Chloromethy

Specifications & Purity

≥95%, mixture of isomers

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488197714
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197714
• Canonical Smiles: C=CC(C1=CC=CC=C1)Cl
• IUPAC Name: 1-chloroprop-2-enylbenzene
• InChIKey: SLBOQBILGNEPEB-UHFFFAOYSA-N
• INCHI: 1S/C9H9Cl/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9H,1H2
• Isomeric SMILES: C=CC(C1=CC=CC=C1)Cl
• Molecular Weight: 152.62

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Solubility: 0.002g/L-20℃
• Specific Rotation[α]: 213.8 °F
• Flash Point(°F): 101℃
• Boil Point(°C): 216.6°C at 760 mmHg
• Molecular Weight: 152.620 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 152.039 Da
• Monoisotopic Mass: 152.039 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yao Chen, Wen Guan, Yunlei Zhang, Changhao Yan, Bing Li, Yanan Wei, Jianming Pan, Yongsheng Yan.  (2020)  One-Pot Synthesis of the Biofuel 5-Ethoxymethylfurfural from Carbohydrates Using a Bifunctional Catalyst Prepared through a Pickering HIPE Template and Pore-Filled Strategy.  ENERGY & FUELS,      [PMID:] [10.1021/acs.energyfuels.0c02942]

2. Li Panyue, Bai Lei, Ma Lingling, Qaisrani Naeem Akhtar, Li Lv, Jia Yabin, He Gaohong, Zhang Fengxiang.  (2019)  Allyl group-enabled side chain grafting for anion exchange membrane fabrication.  IONICS,  26  (4): (1939-1950).  [PMID:] [10.1007/s11581-019-03347-0]

3. Jianming Pan, Yijie Yin, Yue Ma, Fengxian Qiu, Yongsheng Yan, Xiangheng Niu, Tao Zhang, Xue Bai.  (2016)  Hierarchical porous molecule/ion imprinted polymers with double specific binding sites: Combination of Pickering HIPEs template and pore-filled strategy.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2016.04.154]

4. Yincong Yang, Lang Liu, Yakun Tang, Yang Zhang, Dianzeng Jia, Lingbing Kong.  (2016)  Bamboo-like carbon nanotubes containing sulfur for high performance supercapacitors.  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2016.01.149]

5. Huijuan Liu, Yansong Yu, Chao Long.  (2024)  Insights into the role of VOCs properties on thermal desorption behaviors of two porous polymeric resins.  ENVIRONMENTAL POLLUTION,      [PMID:38548161] [10.1016/j.envpol.2024.123879]

6. Xuehui Ge, Huanhuan Zhang, Yafei Cheng, Haiyang Shao, Lei Yuan, Senbin Shen, Guixiang Wang, Chenxiao Jiang, Xiaocheng Lin.  (2024)  Solvent-free green synthesis of anion exchange membranes via photo-polymerization for efficient desalination by electrodialysis.  DESALINATION,      [PMID:] [10.1016/j.desal.2024.118119]