8.20797

Diphenylmethane 4,4′-diisocyanate

(mixture of di-and triisocyanates) for synthesis

• Synonym(s): Diphenylmethane 4,4′-diisocyanate, Methylenediphenylene diisocyanate
• Empirical Formula (Hill Notation): C₁₅H₁₀N₂O₂
• CAS Number: 101-68-8
• Molecular Weight: 250.25
• UNSPSC Code: 12352118
• EC Index Number: 202-966-0
• NACRES: NA.22
• MDL number: MFCD00036131

Properties

• vapor pressure: 0.066 hPa ( 20 °C)
• Quality Segment: 200
• form: liquid
• autoignition temp.: >600 °C
• potency: >5000 mg/kg LD₅₀, oral (Rat), >9000 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 0.4 % (v/v)
• bp: 196 °C/7 hPa
• mp: 10 °C
• transition temp: flash point 196 °C
• solubility: 2 g/L (decomposition)
• density: 1.239 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: N(=C=O)c1ccc(cc1)Cc2ccc(cc2)N=C=O
• 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
• InChI key: UPMLOUAZCHDJJD-UHFFFAOYSA-N

Description

Application

• Oil absorption enhancement with hydrophobic nanofibrils: Hydrophobic cellulose nanofibrils modified with Diphenylmethane 4,4′-diisocyanate and other diisocyanates demonstrated improved performance in absorbing circulating oil, offering significant potential for environmental cleanup applications (Chen et al., 2024).
• Evaluation of adhesion enhancers for foliar applications: Research on self-assembling eugenol-loaded particles, which might involve Diphenylmethane 4,4′-diisocyanate for carrier adhesion on leaves, indicated enhanced efficiency in foliar applications and underscored the importance of ecotoxicological safety (Zhang et al., 2023).
• Development of deformative polyurethane actuators: Diphenylmethane 4,4′-diisocyanate was used in the synthesis of self-healing polyurethane actuators that respond to light, heat, and humidity, highlighting its utility in creating smart materials for advanced engineering applications (Dong et al., 2023).

Analysis Note

Assay (GC, area%): 50.0 - 70.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.237 - 1.242
isomer Diisocyantes (GC, area%): ≤ 10.0 % (a/a)
triisocyanate (GC, area%): 20.0 - 40.0 % (a/a)
Identity (IR): passes test

Safety Information

• signalword: Danger
• pcodes: P202 - P260 - P280 - P302 + P352 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Inhalation - Carc. 2 - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT RE 2 Inhalation - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk: WGK 1
• flash_point_f: 411.8 °F - closed cup
• flash_point_c: 211 °C - closed cup
• pictograms: GHS08,GHS07
• hcodes: H315,H317,H319,H332,H334,H335,H351,H373