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Bicyclo[2.2.1]hepta-2,5-diene - 98%, high purity , CAS No.121-46-0

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 121-46-0
Molecular Weight: 92.14
Beilstein Registry Number: 506224
MDL number: MFCD00082301
PubChem CID: 8473
PubChem SID: 504751688

In stock

Item Number

B131574

Grouped product items
SKU	Size	Availability	Price
B131574-5ml	5ml	3	$31.90
B131574-25ml	25ml	5	$140.90
B131574-100ml	100ml	5	$219.90
B131574-500ml	500ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$398.90

View related series

Non heterocyclic block (8163) olefin (158)

Basic Description

Synonyms	N0346 \| 3,6-Methano-1,4-cyclohexadiene \| (1S,4S)-BICYCLO[2.2.1]HEPTA-2,5-DIENE \| bicyclo[2.2.1]hepta-2,5-diene,(Norbornadiene) \| Bicyclo[2.2.1]hepta-2,5-diene, 98% \| InChI=1/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H \| NBD \| AI3-24887 \| NSC167540 \| NSC-167540 \|
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	Intermediate in prostaglandin synthesis.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Hydrocarbons
  - Class Polycyclic hydrocarbons

Kingdom	Organic compounds
Superclass	Hydrocarbons
Class	Polycyclic hydrocarbons
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Polycyclic hydrocarbons
Alternative Parents	Cyclic olefins Unsaturated aliphatic hydrocarbons
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Polycyclic hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as polycyclic hydrocarbons. These are polycyclic organic compounds made up only of carbon and hydrogen atoms.
External Descriptors	Not available
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

Pubchem Sid	504751688
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751688
IUPAC Name	bicyclo[2.2.1]hepta-2,5-diene
INCHI	InChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2
InChIKey	SJYNFBVQFBRSIB-UHFFFAOYSA-N
Smiles	C1C2C=CC1C=C2
Isomeric SMILES	C1C2C=CC1C=C2
WGK Germany	2
RTECS	RB6535000
UN Number	2251
Packing Group	II
Molecular Weight	92.14
Beilstein	506224
Reaxy-Rn	506224
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506224&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.

11 results found

Lot Number	Certificate Type	Date	Item
B2317432	Certificate of Analysis	Jan 09, 2023	B131574
B2317362	Certificate of Analysis	Jan 09, 2023	B131574
B2317373	Certificate of Analysis	Jan 09, 2023	B131574
B2317348	Certificate of Analysis	Jan 09, 2023	B131574
K2208180	Certificate of Analysis	Oct 17, 2022	B131574
K2208181	Certificate of Analysis	Oct 17, 2022	B131574
K2208179	Certificate of Analysis	Oct 17, 2022	B131574
J2227195	Certificate of Analysis	Oct 10, 2022	B131574
J2227189	Certificate of Analysis	Oct 10, 2022	B131574
J2227187	Certificate of Analysis	Oct 10, 2022	B131574
J2227191	Certificate of Analysis	Oct 10, 2022	B131574

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Chemical and Physical Properties

Solubility	Immiscible with water.
Sensitivity	Air sensitive
Refractive Index	1.47
Flash Point(°F)	-5.8 °F
Flash Point(°C)	-19°C
Boil Point(°C)	90°C
Melt Point(°C)	-20°C
Molecular Weight	92.140 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	92.0626 Da
Monoisotopic Mass	92.0626 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	103.000
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

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