4-Methoxyphenyl Isothiocyanate - >95.0%(GC), high purity , CAS No.2284-20-0

Name: 4-Methoxyphenyl Isothiocyanate - >95.0%(GC), high purity , CAS No.2284-20-0
Price: 13.9 USD
Availability: InStock

Grade & Purity:

In stock

Item Number

M140587

Grouped product items
SKU	Size	Availability	Price
M140587-1g	1g	2	$13.90
M140587-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$52.90
M140587-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$235.90
M140587-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$846.90

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Synonyms	PD168608 \| I0513 \| F2121-0325 \| BBL012568 \| SY012198 \| 1-isothiocyanato-4-methoxy benzene \| 4-methoxy phenyl isothiocyanate \| Benserazide hydrochloride [JAN] \| EINECS 218-921-3 \| FT-0618949 \| FS-3847 \| 1-Isothiocyanato-4-methoxybenzene \| 1-isothiocyanato-
Specifications & Purity	≥95%(GC)
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	4-Methoxyphenyl isothiocyanate has been used in synthesis of 3-benzyl-2-(4-methoxyphenyl)-3H-[1,2,4]triazolo-[5,1-b]quinazolin-9-one and 2-{[4-amino-3-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetyl}-N-arylhydrazinecarbothioamides. 4-Methoxyphenyl isothiocyanate has been used in the synthesis of: . 3-benzyl-2-(4-methoxyphenyl)-3H-[1,2,4]triazolo-[5,1-b]quinazolin-9-one . 2-{[4-amino-3-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetyl}-N-arylhydrazinecarbothioamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Aniline and substituted anilines
Intermediate Tree Nodes	Not available
Direct Parent	Methoxyanilines
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Isothiocyanate - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy group.
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

IUPAC Name	1-isothiocyanato-4-methoxybenzene
INCHI	InChI=1S/C8H7NOS/c1-10-8-4-2-7(3-5-8)9-6-11/h2-5H,1H3
InChIKey	VRPQCVLBOZOYCG-UHFFFAOYSA-N
Smiles	COC1=CC=C(C=C1)N=C=S
Isomeric SMILES	COC1=CC=C(C=C1)N=C=S
WGK Germany	3
Molecular Weight	165.21
Beilstein	606967
Reaxy-Rn	606967
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606967&ln=

Lot Number	Certificate Type	Date	Item
G2109069	Certificate of Analysis	Apr 08, 2025	M140587
E2107062	Certificate of Analysis	Jan 22, 2025	M140587
J1617049	Certificate of Analysis	Jun 15, 2024	M140587

Solubility	It hydrolyzes in water.
Sensitivity	Moisture sensitive; heat sensitive
Refractive Index	1.6489
Flash Point(°F)	>230°F
Flash Point(°C)	>110℃
Boil Point(°C)	281℃
Melt Point(°C)	18-20℃
Molecular Weight	165.210 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	165.025 Da
Monoisotopic Mass	165.025 Da
Topological Polar Surface Area	53.700 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	157.000
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

Basic Description