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Isothiocyanic Acid 2-Fluorophenyl Ester - ≥97%(GC), high purity , CAS No.38985-64-7

COA

Grade & Purity:

≥97%(GC)

Cas Number: 38985-64-7
Molecular Weight: 153.17
Beilstein Registry Number: 4176581
EC Number: 254-237-1
MDL number: MFCD00004800
PubChem CID: 97520

In stock

Item Number

I770252

Grouped product items
SKU	Size	Availability	Price
I770252-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$28.90
I770252-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$69.90
I770252-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$309.90

Basic Description

Specifications & Purity	≥97%(GC)
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Aryl fluorides Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Fluorobenzene - Aryl halide - Aryl fluoride - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
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	1-fluoro-2-isothiocyanatobenzene
INCHI	InChI=1S/C7H4FNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChIKey	OAGDRIUTLPDSMJ-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)N=C=S)F
Isomeric SMILES	C1=CC=C(C(=C1)N=C=S)F
WGK Germany	3
PubChem CID	97520
Molecular Weight	153.17
Beilstein	4176581
Reaxy-Rn	4176581

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	1.6254
Flash Point(°F)	206°F
Flash Point(°C)	97℃
Boil Point(°C)	104°C/8mmHg
Molecular Weight	153.180 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	153.005 Da
Monoisotopic Mass	153.005 Da
Topological Polar Surface Area	44.500 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	154.000
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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