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3,5-Dimethylphenyl Isocyanate - ≥98.0%, high purity , CAS No.54132-75-1

7 Citations

COA

Grade & Purity:

≥98%

Cas Number: 54132-75-1
Molecular Weight: 147.17
Beilstein Registry Number: 774958
EC Number: 258-987-0
MDL number: MFCD00013868
PubChem CID: 521488
PubChem SID: 488190104

In stock

Item Number

D123654

Grouped product items
SKU	Size	Availability	Price
D123654-1g	1g	10	$9.90
D123654-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$29.90
D123654-25g	25g	2	$89.90
D123654-100g	100g	1	$299.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	SCHEMBL59852 \| DTXSID30202474 \| EN300-146935 \| GEO-02836 \| Benzene, 1-isocyanato-3,5-dimethyl- \| 3,5-Dimethylphenyl isocyanate, 99% \| 1-Isocyanato-3,5-dimethylbenzene # \| STK504578 \| SY050018 \| AKOS000177074 \| AS-10327 \| MFCD00013868 \| 3,5-Dimethylphenyli
Specifications & Purity	≥98%
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 Xylenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Xylenes
Intermediate Tree Nodes	Not available
Direct Parent	m-Xylenes
Alternative Parents	Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-xylene - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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	488190104
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190104
IUPAC Name	1-isocyanato-3,5-dimethylbenzene
INCHI	InChI=1S/C9H9NO/c1-7-3-8(2)5-9(4-7)10-6-11/h3-5H,1-2H3
InChIKey	DZSGDHNHQAJZCO-UHFFFAOYSA-N
Smiles	CC1=CC(=CC(=C1)N=C=O)C
Isomeric SMILES	CC1=CC(=CC(=C1)N=C=O)C
WGK Germany	3
Molecular Weight	147.17
Beilstein	774958
Reaxy-Rn	774958
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774958&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.

14 results found

Lot Number	Certificate Type	Date	Item
H2303370	Certificate of Analysis	May 07, 2025	D123654
H2303369	Certificate of Analysis	May 07, 2025	D123654
A2329744	Certificate of Analysis	Nov 11, 2024	D123654
A2329745	Certificate of Analysis	Nov 11, 2024	D123654
A2329743	Certificate of Analysis	Nov 07, 2024	D123654
D2417224	Certificate of Analysis	Mar 21, 2024	D123654
D2417225	Certificate of Analysis	Mar 21, 2024	D123654
D2417226	Certificate of Analysis	Mar 21, 2024	D123654
D2417259	Certificate of Analysis	Mar 21, 2024	D123654
C2429442	Certificate of Analysis	Mar 11, 2024	D123654
L2114047	Certificate of Analysis	Sep 22, 2023	D123654
H2303368	Certificate of Analysis	Jul 17, 2023	D123654
H2131215	Certificate of Analysis	Jun 09, 2023	D123654
A2329746	Certificate of Analysis	Jan 09, 2023	D123654

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Chemical and Physical Properties

Solubility	Hydrolyzes in water.
Sensitivity	Heat & Moisture Sensitive
Refractive Index	1.5270 - 1.5310
Flash Point(°F)	183.2 °F
Flash Point(°C)	83°C
Boil Point(°C)	205°C
Molecular Weight	147.170 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	147.068 Da
Monoisotopic Mass	147.068 Da
Topological Polar Surface Area	29.400 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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