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2-Fluorobenzothiazole - >99.0%(GC), high purity , CAS No.1123-98-4

COA

Grade & Purity:

≥99%(GC)

Cas Number: 1123-98-4
Molecular Weight: 153.17
PubChem CID: 70753

In stock

Item Number

F156736

Grouped product items
SKU	Size	Availability	Price
F156736-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$35.90
F156736-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$86.90
F156736-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$322.90

Basic Description

Synonyms	2-Fluorobenzothiazole \| 1123-98-4 \| 2-Fluoro-1,3-benzothiazole \| 2-Fluorobenzo[d]thiazole \| Benzothiazole, 2-fluoro- \| MFCD00047254 \| 2-Benzothiazolyl Fluoride \| EINECS 214-384-4 \| 2-Fluoro-benzothiazole \| FLUOROBENZOTHIAZOLE \| 5LKM8HMH9X \| SCHEMBL1572158 \| 2-Fluoro-1,3-benzothi
Specifications & Purity	≥99%(GC)
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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzothiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzothiazoles
Alternative Parents	Benzenoids Aryl fluorides Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,3-benzothiazole - Benzenoid - Aryl halide - Aryl fluoride - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
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

IUPAC Name	2-fluoro-1,3-benzothiazole
INCHI	InChI=1S/C7H4FNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
InChIKey	QVWCHVAUHZEAAT-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)N=C(S2)F
Isomeric SMILES	C1=CC=C2C(=C1)N=C(S2)F
Molecular Weight	153.17
Reaxy-Rn	971503
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=971503&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	93°C(lit.)
Flash Point(°C)	93°C(lit.)
Boil Point(°C)	98°C/16mmHg(lit.)
Molecular Weight	153.180 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	153.005 Da
Monoisotopic Mass	153.005 Da
Topological Polar Surface Area	41.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	131.000
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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