Skip to the beginning of the images gallery

2-Methoxyphenyl Isothiocyanate - 96%（GC）, high purity , CAS No.3288-04-8

COA

Grade & Purity:

≥96%(GC)

Cas Number: 3288-04-8
Molecular Weight: 165.21
Beilstein Registry Number: 13(4)855
MDL number: MFCD00011675
PubChem CID: 520599
PubChem SID: 504759064

In stock

Item Number

M158323

Grouped product items
SKU	Size	Availability	Price
M158323-1g	1g	3	$12.90
M158323-5g	5g	3	$47.90
M158323-25g	25g	3	$155.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	SCHEMBL331765 \| BP-10889 \| Isothiocyanic Acid 2-Methoxyphenyl Ester \| F1915-0002 \| I0512 \| orthomethoxyphenyl isothiocyanate \| o-Methoxyphenyl isothiocyanate \| 2-isothiocyanato-1-methoxy-benzene \| FT-0608829 \| Benzene, 1-isothiocyanato-2-methoxy- \| 2-Meth
Specifications & Purity	≥96%(GC)
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

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

Names and Identifiers

Pubchem Sid	504759064
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759064
IUPAC Name	1-isothiocyanato-2-methoxybenzene
INCHI	InChI=1S/C8H7NOS/c1-10-8-5-3-2-4-7(8)9-6-11/h2-5H,1H3
InChIKey	QKAOOWJWWKWWOZ-UHFFFAOYSA-N
Smiles	COC1=CC=CC=C1N=C=S
Isomeric SMILES	COC1=CC=CC=C1N=C=S
Molecular Weight	165.21
Beilstein	13(4)855
Reaxy-Rn	638293
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=638293&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
C23241175	Certificate of Analysis	Feb 18, 2023	M158323
C23241176	Certificate of Analysis	Feb 18, 2023	M158323
C23241171	Certificate of Analysis	Feb 18, 2023	M158323
B2315429	Certificate of Analysis	Oct 08, 2021	M158323

Chemical and Physical Properties

Solubility	Reacts with water.
Sensitivity	Moisture sensitive
Refractive Index	1.64
Flash Point(°F)	230°F
Boil Point(°C)	267°C(lit.)
Molecular Weight	165.210 g/mol
XLogP3	3.300
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	165.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration