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Substance Name: 4,4'-Diphenylmethane diisocyanate
RN: 101-68-8
UNII: B0LO6BBS8C
InChIKey: UPMLOUAZCHDJJD-UHFFFAOYSA-N

Note

  • Used as a hardening agent incorporated in polyurethanes.

Molecular Formula

  • C15-H10-N2-O2

Molecular Weight

  • 250.256
 

Classification Codes

Classification Codes

  • Human Data
  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • Ceiling 0.02 ppm (0.2 mg/m3)
  • Overall Carcinogenic Evaluation: Group 3
  • Reportable Quantity (RQ) = 5000 lb
  • TWA (0.005 ppm)

Names and Synonyms

Name of Substance

  • 4,4'-Diphenylmethane diisocyanate

Synonyms

  • 1,1'-Methylenebis(4-isocyanatobenzene)
  • 4,4'-Diisocyanatodiphenylmethane
  • 4,4'-Diphenylmethane diisocyanate
  • 4,4'-Diphenylmethanediisocyante
  • 4,4'-Methylenebis(phenyl isocyanate)
  • 4,4'-Methylenedi(phenyl isocyanate)
  • 4,4'-Methylenedi-p-phenylene diisocyanate
  • 4,4'-Methylenediphenyl diisocyanate
  • 4,4'-Methylenediphenyl isocyanate
  • 4,4'-Methylenediphenylene isocyanate
  • 4-13-00-00396 (Beilstein Handbook Reference)
  • 4-4'-Diisocyanate de diphenylmethane
  • 4-4'-Diisocyanate de diphenylmethane [French]
  • AI3-15256
  • Benzene, 1,1'-methylenebis(4-isocyanato-
  • Bis(1,4-isocyanatophenyl)methane
  • Bis(4-isocyanatophenyl)methane
  • Bis(p-isocyanatophenyl)methane
  • Bis(para-isocyanatophenyl)methane
  • BRN 0797662
  • Caradate 30
  • CCRIS 2303
  • Desmodur 44
  • Di-(4-isocyanatophenyl)methane
  • Difenil-metan-diisocianato
  • Difenil-metan-diisocianato [Italian]
  • Difenylmethaan-dissocyanaat
  • Difenylmethaan-dissocyanaat [Dutch]
  • Diphenyl methane diisocyanate
  • Diphenylmethan-4,4'-diisocyanat
  • Diphenylmethan-4,4'-diisocyanat [German]
  • Diphenylmethane diisocyanate
  • Diphenylmethyl diisocyanate
  • EC 202-966-0
  • EINECS 202-966-0
  • HSDB 2630
  • Hylene M50
  • Isocyanic acid, ester with diphenylmethane
  • Isocyanic acid, methylenedi-p-phenylene ester
  • Isonate
  • Isonate 125 MF
  • Isonate 125M
  • MDI
  • MDR
  • Methylbisphenyl isocyanate
  • Methylene bisphenyl isocyanate
  • Methylene di-p-phenylene isocyanate
  • Methylenebis(4-isocyanatobenzene)
  • Methylenebis(4-phenyl isocyanate)
  • Methylenebis(4-phenylene isocyanate)
  • Methylenebis(p-phenyl isocyanate)
  • Methylenebis(p-phenylene isocyanate)
  • Methylenebis(para-phenyl isocyanate)
  • Methylenebis(para-phenylene isocyanate)
  • Methylenedi-p-phenylene diisocyanate
  • Methylenedi-para-phenylene diisocyanate
  • Nacconate 300
  • NCI-C50668
  • NSC 9596
  • p,p'-Diphenylmethane diisocyanate
  • p,p'-Methylenebis(phenyl isocyanate)
  • para,para'-Diphenylmethane diisocyanate
  • para,para'-Methylenebis(phenyl isocyanate)
  • Rubinate 44
  • UNII-B0LO6BBS8C

Systematic Names

  • 1,1'-Methylenebis(4-isocyanatobenzene)
  • 4,4'-Methylenediphenyl diisocyanate
  • 4,4'-Methylenediphenylene diisocyanate
  • Benzene, 1,1'-methylenebis(4-isocyanato-
  • Isocyanic acid, methylenedi-p-phenylene ester

Superlist Names

  • 4,4'-Diphenylmethane diisocyanate
  • 4,4'-Methylenediphenyl diisocyanate
  • Benzene, 1,1'-methylenebis(4-isocyanato-
  • Diphenylmethane diisocyanate
  • Diphenylmethane-4,4'-diisocyanate
  • Diphenylmethane-4,4'-diisocyanate [UN2489] [Keep away from food]
  • Isocyanic acid, methylenedi-p-phenylene ester
  • MDI
  • Methylene bisphenyl isocyanate
  • Methylene diphenyl diisocyanate
  • Methylenebis(phenylisocyanate)
  • Methylenebis(phenylisocyanate) [Diisocyanates]
  • Methylenediphenyl diisocyanate, 4,4'-
  • UN2489

Registry Numbers

CAS Registry Number

  • 101-68-8

FDA UNII

  • B0LO6BBS8C

Other Registry Numbers

  • 1211266-59-9
  • 1211316-64-1
  • 1220313-65-4
  • 1400594-70-8
  • 142690-07-1
  • 1533423-48-1
  • 153986-89-1
  • 1588489-56-8
  • 201528-77-0
  • 2031250-39-0
  • 2056146-02-0
  • 53633-14-0
  • 55157-41-0
  • 57460-66-9
  • 77090-48-3
  • 88001-94-9
  • 97568-33-7

System Generated Number

  • 0000101688

Structure Descriptors

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

InChIKey

UPMLOUAZCHDJJD-UHFFFAOYSA-N

Smiles

c1cc(ccc1Cc2ccc(cc2)N=C=O)N=C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TCLo inhalation 130ppb/30M (0.13ppm)   American Industrial Hygiene Association Journal. Vol. 27, Pg. 121, 1966.
human TCLo inhalation 130ppb/30M (0.13ppm) IMMUNOLOGICAL INCLUDING ALLERGIC: INCREASED IMMUNE RESPONSE American Industrial Hygiene Association Journal. Vol. 27, Pg. 121, 1966.
mouse LD50 oral 2200mg/kg (2200mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 63, 1982.
rat LC50 inhalation 178mg/m3 (178mg/m3)   American Industrial Hygiene Association Journal. Vol. 43, Pg. 89, 1982.
rat LD50 oral 9200mg/kg (9200mg/kg)   National Technical Information Service. Vol. OTS0516728,
rat LD50 oral 9200mg/kg (9200mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA		 National Technical Information Service. Vol. OTS0516728,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 38 deg C   EXP
log P (octanol-water) 5.220 (none)   EST
Water Solubility 0.829 mg/L 25 EST
Vapor Pressure 5.00E-06 mm Hg 25 EXP
Henry's Law Constant 8.95E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.20E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.