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4-Ethylphenyl isothiocyanate - 98%, high purity , CAS No.18856-63-8

COA

Grade & Purity:

≥98%

Cas Number: 18856-63-8
Molecular Weight: 163.24
Beilstein Registry Number: 2802384
MDL number: MFCD00041101
PubChem CID: 140438

In stock

Item Number

E140567

Grouped product items
SKU	Size	Availability	Price
E140567-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$55.90
E140567-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$189.90
E140567-10g	10g	1	$309.90
E140567-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$618.90
E140567-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,717.90

Basic Description

Synonyms	Benzene, 1-ethyl-4-isothiocyanato- \| AKOS000211794 \| ?4-ETHYLPHENYL ISOTHIOCYANATE \| Benzene,1-ethyl-4-isothiocyanato- \| 2-(p-isothio-cyanatophenyl)ethane \| GEO-03949 \| 4-Ethylphenyl isothiocyanate \| 1-Ethyl-4-isothiocyanatobenzene # \| Z56896766 \| FT-0618
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	4-Ethylphenyl isothiocyanate, also referred as 1-ethyl-4-isothiocyanatobenzene, is an isothiocyanate derivative.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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-ethyl-4-isothiocyanatobenzene
INCHI	InChI=1S/C9H9NS/c1-2-8-3-5-9(6-4-8)10-7-11/h3-6H,2H2,1H3
InChIKey	XXLWCGRHJFEMQH-UHFFFAOYSA-N
Smiles	CCC1=CC=C(C=C1)N=C=S
Isomeric SMILES	CCC1=CC=C(C=C1)N=C=S
WGK Germany	3
Molecular Weight	163.24
Beilstein	2802384
Reaxy-Rn	2802384
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802384&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
A1720040	Certificate of Analysis	Sep 10, 2024	E140567
G2212102	Certificate of Analysis	Jul 16, 2022	E140567
H2211128	Certificate of Analysis	Jun 14, 2022	E140567
H2211131	Certificate of Analysis	Jun 14, 2022	E140567
H2211355	Certificate of Analysis	Jun 14, 2022	E140567
H2211354	Certificate of Analysis	Jun 14, 2022	E140567

Chemical and Physical Properties

Sensitivity	Moisture Sensitive
Refractive Index	1.62 (lit.)
Flash Point(°F)	230°F
Flash Point(°C)	>110℃
Boil Point(°C)	245 °C (lit.)
Molecular Weight	163.240 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	163.046 Da
Monoisotopic Mass	163.046 Da
Topological Polar Surface Area	44.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	153.000
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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