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1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene

1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene

Structure

Skeletal structure of 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene (CAS 101-68-8)
Auto-imported from PubChem CID 7570 via T0 sync core

Identifiers

CAS: 101-68-8
IUPAC name: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
Formula: C15H10N2O2
MW: 250.25 g/mol

Structural identifiers

SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O
InChIKey: UPMLOUAZCHDJJD-UHFFFAOYSA-N
InChI: InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2

Commercial

Inventory: to order

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Physical & chemical properties

Computed descriptors aggregated from PubChem for CAS 101-68-8.

XLogP 5.4
Complexity 332
Exact mass 250.074227566 g/mol
Formal charge 0
Heavy atom count 19
Monoisotopic mass 250.074227566 g/mol
H-bond donor count 0
Rotatable bond count 4
H-bond acceptor count 4
Topological polar surface area (TPSA) 58.9 Ų

China regulatory compliance

Not listed in hazardous / restricted catalogues
China MEM Hazardous Chemicals Catalogue (2015) — Joint Announcement No.5/2015 ↗

Frequently asked questions

Curated by ChemExact's editorial team and reviewed by chemistry and API procurement specialists. Each factual claim is traceable to the cross-source citation graph at the bottom of the page.

What is 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene (CAS 101-68-8)?
1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is a chemical compound with molecular formula C15H10N2O2 and molecular weight ≈ 250.25 g/mol. Its CAS Registry Number is 101-68-8. Diphenylmethane-4,4'-diisocyanate is a diisocyanate consisting of diphenylmethane with two isocyanate groups at the 4- and 4'-positions. It has a role as an allergen and a hapten. It derives from a hydride of a diphenylmethane.
What is the molecular formula and weight of 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene (CAS 101-68-8)?
The molecular formula of 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is C15H10N2O2, and the molecular weight is 250.25 g/mol. This data has been cross-verified against PubChem, ChEMBL and CAS Common Chemistry.
What are the SMILES and InChIKey of 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene?
The canonical SMILES of 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is `C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O`, and the InChIKey is `UPMLOUAZCHDJJD-UHFFFAOYSA-N`. These international identifiers are reusable in PubChem, ChemDraw, RDKit and most cheminformatics toolchains.
What are the common synonyms of 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene?
Common synonyms of 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene include: 101-68-8, 4,4'-Diphenylmethane diisocyanate, Diphenylmethane diisocyanate, Bis(4-isocyanatophenyl)methane, 4,4'-Methylenebis(phenyl isocyanate), Isonate, Desmodur 44, p,p'-Diphenylmethane diisocyanate — 20 synonyms in total. The full list (sourced from PubChem) is available in the page header under "Show synonyms".
What is the current market price of 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene (CAS 101-68-8)?
ChemExact follows a claimed-supplier real-time pricing model: when a verified supplier claims this product page, the right sidebar shows their public quote, MOQ and validity. Current page status: UNCLAIMED — suppliers welcome to onboard and quote. For market reference, see weekly bulletins from ICIS (icis.com), S&P Global Commodity Insights, or China-side aggregators (Longzhong, Sublime, BAIINFO).
How has 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene price trended recently?
1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene pricing typically tracks upstream feedstocks (oil, propylene/aromatics), export demand and seasonal turnaround schedules. Authoritative trackers include: ① ICIS weekly reports; ② S&P Global Platts; ③ China General Administration of Customs (GACC) export data; ④ China Petroleum & Chemical Industry Federation (CPCIF) monthly bulletins. ChemExact will aggregate public weekly bulletins as a market-reference layer (no quote-binding) in subsequent sprints.
Who are the major manufacturers of 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene in China?
Authoritative public sources for finding licensed Chinese manufacturers of 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene: ① China MEM Hazardous Chemicals Registration System — https://whpdj.mem.gov.cn/ (searchable registered enterprises); ② China Chemical Information Center (CCIN) industry database — http://www.ccin.com.cn/; ③ Public B2B platforms such as Made-in-China.com and Alibaba 1688 (with verified-supplier filters). ChemExact will aggregate the public regulatory lists into a 'potential suppliers' candidate pool (with full provenance) in the next sprint.
Who are the largest global producers of 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene?
Global supply discovery for 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is best started from public regulatory registries: ① ECHA REACH registered companies — https://echa.europa.eu/information-on-chemicals (by CAS 101-68-8 returns all EU-compliant registrants); ② US EPA CompTox Chemicals Dashboard — https://comptox.epa.gov/dashboard/; ③ Japan NITE Chemical Risk Information Platform (CHRIP). These registries list compliant producers/importers and serve as a credible first-pass shortlist for international procurement.
What grades of 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene are commercially available?
1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is typically supplied in the following grades: Industrial / Technical (≥ 99%, bulk feedstock), Reagent (AR/CP/GR, ≥ 99.5%, lab analytics), HPLC / GC (≥ 99.9%, chromatography & spectroscopy). Grade-specific specs are confirmed via the supplier's SDS and CoA. ChemExact lets verified suppliers attach hash-validated CoA/SDS files to their claimed product pages.
Where can I download the SDS / MSDS for 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene (CAS 101-68-8)?
Authoritative SDS sources: ① PubChem 'Safety and Hazards' section — https://pubchem.ncbi.nlm.nih.gov/compound/7570; ② US NIH Hazardous Substances Data Bank (HSDB); ③ ECHA REACH dossier; ④ Supplier-attached SDS on the claimed product page. ChemExact does not host SDS files directly (to avoid version drift); all SDS links route to source.
What should be included in a Certificate of Analysis (CoA) for 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene?
A typical industrial CoA for an organic chemical includes: assay (GC%), appearance, density, refractive index, water content (Karl Fischer), acidity, distillation range or boiling point, heavy metals, and iron content. Reagent / pharma grades additionally provide IR / NMR / HPLC traces. ChemExact requires verified suppliers to upload a CoA template upon claiming, so buyers can perform back-validation.
What is the HS code and import procedure for 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene?
Authoritative trade lookups: ① China Customs Tariff (Single Window) — https://www.singlewindow.cn; ② US ITC HTS — https://hts.usitc.gov/; ③ EU TARIC — https://taric.ec.europa.eu/. ChemExact will integrate GACC's public HS code dataset in Sprint 4.

Authoritative external references

Every chemistry property, compliance flag and literature claim on this page is traceable to the authoritative external sources below. Click any link to verify on the publishing institution's original page.

Content & data statement. Commercial information on this page (CAS, HS, EC, purity grade, indicative price band, lead time, inventory status, REACH and FDA flags) is captured from supplier-controlled documents by the ChemExact editorial desk and reviewed on a recurring cycle. Chemistry data — structures, synonyms, physico-chemical properties, hazard classifications and the cited literature — is reconciled against internationally recognised authorities (including but not limited to PubChem, CAS Common Chemistry, ECHA, China MEM, ChEMBL and OpenAlex) and cross-checked by our editors.

Disclaimer: This page is intended as a procurement-side technical reference and does not constitute legal, regulatory, or medical advice. Lot-level conformity is determined by the supplier-signed CoA and SDS. Transport, storage and handling must follow the applicable jurisdictional regulations and product SDS. If you spot a discrepancy with an authoritative source, please contact our editorial team — we review correction requests within five business days.

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