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Home/Compounds/CAS 622-58-2
Formula C8H7NOMW 133.15Research-use catalog entryCOA/SDS by request

4-Methylphenyl isocyanate

CAS Number: 622-58-2

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Available Options

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Loading RDKit molecule structure...
InChIKey: MGYGFNQQGAQEON-UHFFFAOYSA-NC8H7NO | MW 133.15

Chemical Absolute Identifiers

CAS Number

622-58-2

PubChem CID

69325

Molecular Formula

C8H7NO

Molecular Weight

133.15 g/mol

Exact Mass

133.052764

InChIKey

MGYGFNQQGAQEON-UHFFFAOYSA-N

IUPAC Name

1-isocyanato-4-methylbenzene

SMILES String

CC1=CC=C(C=C1)N=C=O

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

4-Methylphenyl isocyanate (CAS 622-58-2) is listed in the Advanced Chemicals portfolio, with molecular formula C8H7NO and molecular weight 133. 15 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Organic Building BlocksSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

4-Methylphenyl isocyanate

Names & Synonyms

p-Tolyl isocyanate4-Tolyl isocyanatep-Isocyanatotoluenep-Toluene isocyanatep-Methylphenyl isocyanate
Show all synonyms
4-Isocyanatotoluenepara-tolyl isocyanatep-TMIp-tolylisocyanateBenzene, 1-isocyanato-4-methyl-1-isocyanato-4-methyl-benzeneIsocyanic acid, p-tolyl esterp-tolylmonoisocyanate4-Tol-NCOpara-tolyl monoisocyanate4-methylbenzenisocyanateIsocyanic Acid p-Tolyl Esterp-Tolyl isocyanatPTI
External Identifiers
EC NUMBER: 210-743-4DSSTOX SUBSTANCE ID: DTXSID2060755CHEBI ID: CHEBI:53732UNII: BTR9S4N53VHMDB ID: HMDB0256059METABOLOMICS WORKBENCH ID: 58727WIKIDATA ID: Q26840811
Experimental Spectrum References
13C NMR Spectra1H NMR SpectraATR-IR SpectraFTIR SpectraRaman SpectraUV-VIS SpectraVapor Phase IR Spectra

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

Show non-linked catalog cues

Non-public related references

4-Fluorophenyl isocyanateCAS 1195-45-5
3,5-Xylyl isocyanateCAS 54132-75-1
1-Isocyanato-4-methoxybenzeneCAS 5416-93-3
4-Ethylphenyl isocyanateCAS 23138-50-3
3,4-Dimethylphenyl isocyanateCAS 51163-27-0

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 1195-45-54-Fluorophenyl isocyanateCAS 54132-75-13,5-Xylyl isocyanateCAS 5416-93-31-Isocyanato-4-methoxybenzeneCAS 23138-50-34-Ethylphenyl isocyanateCAS 51163-27-03,4-Dimethylphenyl isocyanateCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

RFQ questions for CAS 622-58-2

What are the key identifiers for 4-Methylphenyl isocyanate (CAS 622-58-2)?

4-Methylphenyl isocyanate is identified by CAS 622-58-2, with molecular formula C8H7NO, molecular weight 133.15, InChIKey MGYGFNQQGAQEON-UHFFFAOYSA-N.

Can I request a COA for CAS 622-58-2?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for 4-Methylphenyl isocyanate?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 622-58-2 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

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