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4-Methoxy-2-methylphenyl isocyanate , CAS No.60385-06-0

COA

Grade & Purity:

≥96%

Cas Number: 60385-06-0
Molecular Weight: 163.18
PubChem CID: 2734905

In stock

Item Number

M352459

Grouped product items
SKU	Size	Availability	Price	Qty
M352459-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$57.90
M352459-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$229.90

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Benzene compounds (294)

Basic Description

Synonyms	1-isocyanato-4-methoxy-2-methylbenzene \| 1-isocyanato-4-methoxy-2-methyl-benzene \| STL185693 \| GEO-01702 \| FT-0618879 \| 4-Methoxy-2-methylphenyl isocyanate, 98% \| 4-methoxy-2-methylphenylisocyanate \| BB 0259611 \| Benzene, 1-isocyanato-4-methoxy-2-methyl-
Specifications & Purity	≥96%
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.

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 Toluenes Alkyl aryl ethers Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Toluene - Isocyanate - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - 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

IUPAC Name	1-isocyanato-4-methoxy-2-methylbenzene
INCHI	InChI=1S/C9H9NO2/c1-7-5-8(12-2)3-4-9(7)10-6-11/h3-5H,1-2H3
InChIKey	XGRQPTXFVDRJMY-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)OC)N=C=O
Isomeric SMILES	CC1=C(C=CC(=C1)OC)N=C=O
UN Number	2206
Packing Group	III
Molecular Weight	163.18
Reaxy-Rn	7115803
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7115803&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
C2513626	Certificate of Analysis	Mar 06, 2025	M352459
C2513621	Certificate of Analysis	Mar 06, 2025	M352459
C2513627	Certificate of Analysis	Mar 06, 2025	M352459
C2513639	Certificate of Analysis	Mar 06, 2025	M352459

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Boil Point(°C)	80° C
Molecular Weight	163.170 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	163.063 Da
Monoisotopic Mass	163.063 Da
Topological Polar Surface Area	38.700 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	187.000
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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