1,1-Dichloropropene Standard - 2000ug/ml in Purge and Trap Methanol , CAS No.563-58-6

CAS: 563-58-6 Cat. No.: D128125 Molecular Weight: 110.97 Beilstein Registry Number: 1734809 EC Number: 209-253-3

GRADE & PURITY 2000ug/ml in Purge and Trap Methanol

Synonyms

AKOS006228585 | Propene,1-dichloro- | FT-0606098 | 1,1-DICHLOROPROPENE | InChI=1/C3H4Cl2/c1-2-3(4)5/h2H,1H | UNII-5C5688865R | Q24755666 | 1,1-dichloro-prop-1-ene | 1,1-dichloroprop-1-ene | 1,1-Dichloropropene, certified reference material, 5000 mug/mL in

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Volatile Organic Compounds (VOCs) Single Component Standards US EPA Methods:502.2,524.2,8021,8021A,8021B,624,8240B,8260B

Specifications

Synonyms

AKOS006228585 | Propene, 1-dichloro- | FT-0606098 | 1, 1-DICHLOROPROPENE | InChI=1/C3H4Cl2/c1-2-3(4)5/h2H, 1H | UNII-5C5688865R | Q24755666 | 1, 1-dichloro-prop-1-ene | 1, 1-dichloroprop-1-ene | 1, 1-Dichloropropene, certified reference material, 5000 mug/mL in

Specifications & Purity

2000ug/ml in Purge and Trap Methanol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: CC=C(Cl)Cl
• IUPAC Name: 1,1-dichloroprop-1-ene
• InChIKey: ZAIDIVBQUMFXEC-UHFFFAOYSA-N
• INCHI: 1S/C3H4Cl2/c1-2-3(4)5/h2H,1H3
• Isomeric SMILES: CC=C(Cl)Cl
• WGK Germany: 3
• RTECS: UC8290000
• Molecular Weight: 110.97
• Beilstein: 1734809
• Reaxy-Rn: 1734809
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734809&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ketene acetals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ketene acetals
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketene acetals
• Alternative Parents: Vinyl chlorides Chloroalkenes Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketene acetal or derivatives - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ketene acetals. These are organic compounds comprising the ketene acetal functional group, with the general structure XC(Y)=C(R3)R4 (R1,R2=H, alkyl, aryl; X,Y=any hetero 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

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Musca domestica (713 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 110.970 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 109.969 Da
• Monoisotopic Mass: 109.969 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 42.900
• 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

References

1. Musa Mpelwa, Yahui Zheng, Shanfa Tang, Mingzheng Pu, Lijun Jin.  (2020)  Performance optimization for the viscoelastic surfactant using nanoparticles for fracturing fluids.  CHEMICAL ENGINEERING COMMUNICATIONS,      [PMID:] [10.1080/00986445.2019.1660650]

2. Yahui Zheng, Shanfa Tang, Jiaxin Wang, Mpelwa Musa, Mingzheng Pu, Tianyuan Zhou.  (2018)  Effect of Micelle Structure on the Viscosity of Sulfonate Gemini Surfactant Solution.  ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING,  44  (1): (259-267).  [PMID:] [10.1007/s13369-018-3552-0]

3. Yong Qiwen, Nian Fuwei, Liao Bing, Guo Ying, Huang Liping, Wang Lu, Pang Hao.  (2016)  Synthesis and surface analysis of self-matt coating based on waterborne polyurethane resin and study on the matt mechanism.  POLYMER BULLETIN,  74  (4): (1061-1076).  [PMID:] [10.1007/s00289-016-1763-7]