Basic Description

Synonyms	1,3-CYCLOHEXADIENE \| Cyclohexa-1,3-diene \| 592-57-4 \| CYCLOHEXADIENE \| 1,2-dihydrobenzene \| JV5W0EG5BP \| 29797-09-9 \| 1165952-91-9 \| Cyclohexadiene-1,3 \| EINECS 209-764-1 \| UNII-JV5W0EG5BP \| MFCD00001532 \| cyclohexa-1 \| 1,3 cyclohexadiene \| 2,4-cyclohexadiene \| EINECS 249-853-2 \| 1,-3-c
Specifications & Purity	≥95%, contains 0.1% BHT as stabilizer
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Application 1,3-Cyclohexadiene can undergo: ·C-C coupling with aromatic alcohols via iridium-catalyzed hydrogen auto-transfer and with aldehydes via transfer hydrogenation mediated by isopropanol to form carbonyl addition products. ·Living anionic polymerization with n-BuLi/TMEDA system to form polycyclohexadiene. ·Platinum-catalyzed silaboration to form (1R,4S)-1-(dimethylphenylsilyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-cyclohexene. ·Aerobic palladium-catalyzed 1,4-diacetoxylation in the presence of cobalt tetra(hydroquinone)porphyrin as an electron transfer reagent.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Hydrocarbons
  - Class Unsaturated hydrocarbons
    - Subclass Olefins

Kingdom	Organic compounds
Superclass	Hydrocarbons
Class	Unsaturated hydrocarbons
Subclass	Olefins
Intermediate Tree Nodes	Not available
Direct Parent	Cyclic olefins
Alternative Parents	Unsaturated aliphatic hydrocarbons
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclic olefin - Unsaturated aliphatic hydrocarbon - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclic olefins. These are olefins that contain at least one ring in their structure.
External Descriptors	cyclohexadiene
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

Names and Identifiers

IUPAC Name	cyclohexa-1,3-diene
INCHI	InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2
InChIKey	MGNZXYYWBUKAII-UHFFFAOYSA-N
Smiles	C1CC=CC=C1
Isomeric SMILES	C1CC=CC=C1
WGK Germany	3
Molecular Weight	80.13
Beilstein	506024
Reaxy-Rn	506024
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506024&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

15 results found

Lot Number	Certificate Type	Date	Item
E2325436	Certificate of Analysis	Mar 03, 2025	C189164
E2325426	Certificate of Analysis	Mar 03, 2025	C189164
E2325438	Certificate of Analysis	Mar 03, 2025	C189164
J2217344	Certificate of Analysis	Aug 14, 2024	C189164
J2217322	Certificate of Analysis	Aug 14, 2024	C189164
J2217299	Certificate of Analysis	Aug 14, 2024	C189164
F2221284	Certificate of Analysis	Apr 25, 2024	C189164
F2221283	Certificate of Analysis	Apr 25, 2024	C189164
F2221349	Certificate of Analysis	Apr 25, 2024	C189164
J2217342	Certificate of Analysis	Sep 15, 2022	C189164
F2221350	Certificate of Analysis	Jun 07, 2022	C189164
C2218047	Certificate of Analysis	Dec 30, 2021	C189164
B2225217	Certificate of Analysis	Dec 30, 2021	C189164
B2225216	Certificate of Analysis	Dec 30, 2021	C189164
B2225118	Certificate of Analysis	Dec 30, 2021	C189164

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Chemical and Physical Properties

Solubility	Slightly miscible with methanol. Immiscible with water
Sensitivity	heat sensitive
Refractive Index	1.474
Flash Point(°F)	17.6 °F
Flash Point(°C)	-8 °C
Boil Point(°C)	80 °C
Molecular Weight	80.130 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	80.0626 Da
Monoisotopic Mass	80.0626 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	66.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Jinxiu Hu, Xianlong Liu, Yi Liu, Kang Xue, Chengxiang Shi, Xiangwen Zhang, Li Wang, Ji-Jun Zou, Lun Pan. (2023) Photoinduced transposed Paternò-Büchi reaction for effective synthesis of high-performance jet fuel. CHINESE JOURNAL OF CHEMICAL ENGINEERING,
2. Junjian Xie, Xiangwen Zhang, Chengxiang Shi, Lun Pan, Fang Hou, Genkuo Nie, Jiawei Xie, Qing Liu, Ji-Jun Zou. (2020) Self-photosensitized [2 + 2] cycloaddition for synthesis of high-energy-density fuels. Sustainable Energy & Fuels, 4 (2): (911-920).
3. Qiong Wu, Tianfeng Chen, Zhao Zhang, Siyan Liao, Xiaohui Wu, Jian Wu, Wenjie Mei, Yanhua Chen, Weili Wu, Lingli Zeng, Wenjie Zheng. (2014) Microwave-assisted synthesis of arene ruthenium(II) complexes [(η6-RC6H5)Ru(m-MOPIP)Cl]Cl (R = -H and -CH3) as groove binder to c-myc G4 DNA. DALTON TRANSACTIONS, 43 (24): (9216-9225).

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SKU	Size	Availability	Price
C189164-1ml	1ml	3	$13.90
C189164-5ml	5ml	1	$52.90
C189164-25ml	25ml	2	$203.90
C189164-100ml	100ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$731.90

1,3-Cyclohexadiene - 95%,contains 0.1% BHT as stabilizer, high purity , CAS No.592-57-4