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2,6-Dimethylphenyl isothiocyanate - 98%, high purity , CAS No.19241-16-8

COA

Grade & Purity:

≥98%

Cas Number: 19241-16-8
Molecular Weight: 163.24
Beilstein Registry Number: 637195
EC Number: 242-906-0
MDL number: MFCD00038715
PubChem CID: 87976
PubChem SID: 504755915

In stock

Item Number

D140566

Grouped product items
SKU	Size	Availability	Price
D140566-1g	1g	3	$21.90
D140566-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$62.90
D140566-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$229.90
D140566-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$699.90

Basic Description

Synonyms	2,6-dimethylphenylisothiocyanate \| 2,6-dimethylphenyl-isothiocyanate \| FT-0610704 \| Z56921379 \| (R)-Isoproterenol hydrochloride \| 2,6-Dimethylphenyl-1-isothiocyanate \| Isothiocyanic acid, 2,6-xylyl ester \| 2,6-Dimethylphenyl isothiocyanate \| J-802060 \| Xy
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	Product Application： 2,6-Dimethylphenyl isocyanate has been used in the preparation of derivatized β-cyclodextrins, used as chiral stationary phase in normal-phase liquid chromatography, tris( 2,6-dimethylphenylimido)methylrhenium (VII), 1-(2-isopropylphenyl)-3-(2,6-dimethylphenyl)urea.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Xylenes
Intermediate Tree Nodes	Not available
Direct Parent	m-Xylenes
Alternative Parents	Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-xylene - 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 m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.
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	504755915
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755915
IUPAC Name	2-isothiocyanato-1,3-dimethylbenzene
INCHI	InChI=1S/C9H9NS/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3
InChIKey	UULUECCNPPJFBU-UHFFFAOYSA-N
Smiles	CC1=C(C(=CC=C1)C)N=C=S
Isomeric SMILES	CC1=C(C(=CC=C1)C)N=C=S
WGK Germany	3
Molecular Weight	163.24
Beilstein	637195
Reaxy-Rn	637195
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637195&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.

9 results found

Lot Number	Certificate Type	Date	Item
I2008180	Certificate of Analysis	Aug 15, 2024	D140566
H2329181	Certificate of Analysis	Apr 21, 2023	D140566
H2329178	Certificate of Analysis	Apr 21, 2023	D140566
H2329180	Certificate of Analysis	Apr 21, 2023	D140566
H2329179	Certificate of Analysis	Apr 21, 2023	D140566
D23141502	Certificate of Analysis	Mar 21, 2023	D140566
D23141494	Certificate of Analysis	Mar 21, 2023	D140566
D23141496	Certificate of Analysis	Mar 21, 2023	D140566
D23141452	Certificate of Analysis	Mar 21, 2023	D140566

Chemical and Physical Properties

Solubility	Hydrolyzes in water.
Sensitivity	Moisture Sensitive
Refractive Index	1.625
Flash Point(°F)	>230°F
Flash Point(°C)	>110℃
Boil Point(°C)	247°C
Molecular Weight	163.240 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
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	162.000
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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