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2-Biphenyl Isocyanate - >98.0%(GC), high purity , CAS No.17337-13-2

COA

Grade & Purity:

≥98%(GC)

Cas Number: 17337-13-2
Molecular Weight: 195.22
Beilstein Registry Number: 12(4)3230
MDL number: MFCD00037087
PubChem CID: 222280
PubChem SID: 488188701

In stock

Item Number

B153171

Grouped product items
SKU	Size	Availability	Price
B153171-1g	1g	3	$24.90
B153171-5g	5g	2	$95.90
B153171-25g	25g	1	$353.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	I0503 \| MFCD00037087 \| EN300-243350 \| FT-0627399 \| Isocyanic Acid 2-Biphenyl Ester \| 2-isocyanatobiphenyl \| 2-Isocyanato-biphenyl \| STL555732 \| AKOS009158537 \| 2-Biphenylyl isocyanate, 98% \| AMY31981 \| EN300-146798 \| InChI=1/C13H9NO/c15-10-14-13-9-5-4-8-1
Specifications & Purity	≥98%(GC)
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Biphenyls and derivatives
Alternative Parents	Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Biphenyl - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
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	488188701
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188701
IUPAC Name	1-isocyanato-2-phenylbenzene
INCHI	InChI=1S/C13H9NO/c15-10-14-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H
InChIKey	IHHUGFJSEJSCGE-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C2=CC=CC=C2N=C=O
Isomeric SMILES	C1=CC=C(C=C1)C2=CC=CC=C2N=C=O
Molecular Weight	195.22
Beilstein	12(4)3230
Reaxy-Rn	2719420
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2719420&ln=

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

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

Analytical Chart:

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9 results found

Lot Number	Certificate Type	Date	Item
E2430147	Certificate of Analysis	Jun 12, 2024	B153171
E2430148	Certificate of Analysis	Jun 12, 2024	B153171
E2430149	Certificate of Analysis	Jun 12, 2024	B153171
K2226326	Certificate of Analysis	Oct 20, 2022	B153171
K2226327	Certificate of Analysis	Oct 20, 2022	B153171
K2226328	Certificate of Analysis	Oct 20, 2022	B153171
K2226313	Certificate of Analysis	Oct 20, 2022	B153171
K2226314	Certificate of Analysis	Oct 20, 2022	B153171
K2226307	Certificate of Analysis	Oct 20, 2022	B153171

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Refractive Index	1.61
Boil Point(°C)	130°C/5mmHg(lit.)
Molecular Weight	195.220 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	195.068 Da
Monoisotopic Mass	195.068 Da
Topological Polar Surface Area	29.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	239.000
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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