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1,4-dihydro-1,4-methanonaphthalene - 98%, high purity , CAS No.4453-90-1

COA

Grade & Purity:

≥98%

Cas Number: 4453-90-1
Molecular Weight: 142.20
MDL number: MFCD00213597
PubChem CID: 97391
PubChem SID: 504756363

In stock

Item Number

D120187

Grouped product items
SKU	Size	Availability	Price
D120187-100mg	100mg	3	$31.90
D120187-250mg	250mg	3	$63.90
D120187-1g	1g	1	$202.90

Basic Description

Synonyms	Benzonorbornadiene \| InChI=1/C11H10/c1-2-4-11-9-6-5-8(7-9)10(11)3-1/h1-6,8-9H,7H2 \| IEGYXSAHRKJELM-UHFFFAOYSA-N \| FT-0695339 \| J-503993 \| tricyclo[6.2.1.0?,?]undeca-2(7),3,5,9-tetraene \| EINECS 224-696-2 \| NSC120540 \| NSC-120540 \| AKOS016004396 \| D5848 \|
Specifications & Purity	≥98%
Storage Temp	Protected from light,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Naphthalenes
Alternative Parents	Indanes Aromatic hydrocarbons Polycyclic hydrocarbons Cyclic olefins
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Naphthalene - Indane - Aromatic hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
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	504756363
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756363
IUPAC Name	tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
INCHI	InChI=1S/C11H10/c1-2-4-11-9-6-5-8(7-9)10(11)3-1/h1-6,8-9H,7H2
InChIKey	IEGYXSAHRKJELM-UHFFFAOYSA-N
Smiles	C1C2C=CC1C3=CC=CC=C23
Isomeric SMILES	C1C2C=CC1C3=CC=CC=C23
Molecular Weight	142.20
Reaxy-Rn	1561935
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1561935&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.

6 results found

Lot Number	Certificate Type	Date	Item
J2331152	Certificate of Analysis	Sep 20, 2023	D120187
J2331154	Certificate of Analysis	Sep 20, 2023	D120187
J2331156	Certificate of Analysis	Sep 20, 2023	D120187
J2331158	Certificate of Analysis	Sep 20, 2023	D120187
J2331162	Certificate of Analysis	Sep 20, 2023	D120187
J2331161	Certificate of Analysis	Sep 20, 2023	D120187

Chemical and Physical Properties

Sensitivity	Light and air sensitive
Refractive Index	1.57
Flash Point(°C)	81 °C
Boil Point(°C)	83 °C/12 mmHg
Molecular Weight	142.200 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	142.078 Da
Monoisotopic Mass	142.078 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	172.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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