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Merck

8.20797

Diphenylmethane 4,4′-diisocyanate

(mixture of di-and triisocyanates) for synthesis

Synonym(s):

Diphenylmethane 4,4′-diisocyanate, Methylenediphenylene diisocyanate

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About This Item

Empirical Formula (Hill Notation):
C15H10N2O2
CAS Number:
Molecular Weight:
250.25
UNSPSC Code:
12352118
EC Index Number:
202-966-0
NACRES:
NA.22
MDL number:
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Product Name

Diphenylmethane 4,4′-diisocyanate, (mixture of di-and triisocyanates) for synthesis

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

vapor pressure

0.066 hPa ( 20 °C)

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

Quality Level

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

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).

pictograms

Exclamation markHealth hazard

signalword

Danger

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


Certificates of Analysis (COA)

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Global Trade Item Number

SKUGTIN
8.20797.050004022536466835
8.20797.010004022536466828

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