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4-Ethoxyphenyl isothiocyanate - 98%, high purity , CAS No.3460-49-9

COA

Grade & Purity:

≥98%

Cas Number: 3460-49-9
Molecular Weight: 179.24
MDL number: MFCD00041096
PubChem CID: 77006

In stock

Item Number

E300790

Grouped product items
SKU	Size	Availability	Price	Qty
E300790-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$241.90
E300790-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$859.90

Discover 4-Ethoxyphenyl isothiocyanate by Aladdin Scientific in 98% for only $241.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-Ethoxyphenyl isothiocyanate \| 3460-49-9 \| 1-Ethoxy-4-isothiocyanatobenzene \| 4-ETHOXYPHENylisoTHIOCYANATE \| p-Ethoxyphenyl isothiocyanate \| Benzene, 1-ethoxy-4-isothiocyanato- \| 4-isothiocyanatophenetol \| MFCD00041096 \| 1-ethoxy-4-isothiocyanato-benzene \| EINECS 222-410-
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Alkyl aryl ethers Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with 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-ethoxy-4-isothiocyanatobenzene
INCHI	InChI=1S/C9H9NOS/c1-2-11-9-5-3-8(4-6-9)10-7-12/h3-6H,2H2,1H3
InChIKey	REEKOMRZYJXXNR-UHFFFAOYSA-N
Smiles	CCOC1=CC=C(C=C1)N=C=S
Isomeric SMILES	CCOC1=CC=C(C=C1)N=C=S
Molecular Weight	179.24
Reaxy-Rn	637526
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637526&ln=

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

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
L2010253	Certificate of Analysis	Oct 24, 2023	E300790

Chemical and Physical Properties

Flash Point(°C)	>110°C
Melt Point(°C)	57-61°C
Molecular Weight	179.240 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	179.04 Da
Monoisotopic Mass	179.04 Da
Topological Polar Surface Area	53.700 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169.000
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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