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2-Methoxyphenyl Isocyanate - ≥98.0%, high purity , CAS No.700-87-8

COA

Grade & Purity:

≥98%

Cas Number: 700-87-8
Molecular Weight: 149.15
Beilstein Registry Number: 13(3)823
MDL number: MFCD00002004
PubChem CID: 69695

In stock

Item Number

I134824

Grouped product items
SKU	Size	Availability	Price
I134824-5g	5g	2	$26.90
I134824-25g	25g	3	$84.90
I134824-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$304.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	A836767 \| BB 0253724 \| o-Methoxyphenyl isocyanate \| 2-methoxy phenyl isocyanate \| PS-10296 \| DTXSID1061025 \| 2-Methoxyphenyl isocyanate \| F2190-0551 \| W-104569 \| 2-Methoxyphenyl isocyanate, 99% \| 1-Isocyanato-2-methoxybenzene \| BBL027367 \| D77648 \| FT-063
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
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 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 - 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 - Organic oxygen compound - Hydrocarbon derivative - 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-2-methoxybenzene
INCHI	InChI=1S/C8H7NO2/c1-11-8-5-3-2-4-7(8)9-6-10/h2-5H,1H3
InChIKey	SUVCZZADQDCIEQ-UHFFFAOYSA-N
Smiles	COC1=CC=CC=C1N=C=O
Isomeric SMILES	COC1=CC=CC=C1N=C=O
WGK Germany	3
Molecular Weight	149.15
Beilstein	13(3)823
Reaxy-Rn	387700
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=387700&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.

5 results found

Lot Number	Certificate Type	Date	Item
A1908002	Certificate of Analysis	Jul 12, 2024	I134824
A1908003	Certificate of Analysis	Sep 13, 2022	I134824
K2310100	Certificate of Analysis	Sep 13, 2022	I134824
K2307033	Certificate of Analysis	Sep 13, 2022	I134824
K2310101	Certificate of Analysis	Sep 13, 2022	I134824

Chemical and Physical Properties

Sensitivity	Moisture Sensitive,Heat Sensitive
Refractive Index	1.54
Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Boil Point(°C)	96 °C/10 mmHg
Molecular Weight	149.150 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	149.048 Da
Monoisotopic Mass	149.048 Da
Topological Polar Surface Area	38.700 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	163.000
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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