Basic information
- CAS
39420-98-9- Standard SMILES
O=C=Nc1ccc(Cc2ccccc2N=C=O)cc1- InChIKey
LFSYUSUFCBOHGU-UHFFFAOYSA-N- Molecular formula
- C15H10N2O2
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.07422756
Names & identifiers
- Preferred name
- 2,4'-Diphenylmethane diisocyanate
- IUPAC
- 1-isocyanato-2-[(4-isocyanatophenyl)methyl]benzene
- English name
- 2 4'-Methylenebis(phenyl isocyanate)
- Molecular formula
- C15H10N2O2
- Molecular weight
- 250.25
Names & synonyms
5873-54-1o-(p-Isocyanatobenzyl)phenyl isocyanateBenzene, 1-isocyanato-2-[(4-isocyanatophenyl)methyl]-2,4'-Diisocyanatodiphenylmethane1-isocyanato-2-[(4-isocyanatophenyl)methyl]benzene2,4'-Diphenylmethane diisocyanateDiphenylmethane-2,4'-diisocyanate2,4'-DiphenylmethanediisocyanteYVQ6NX5H3YEINECS 227-534-9CCRIS 8159Benzene, 1-isocyanato-2-((4-isocyanatophenyl)methyl)-
Show more names
Diphenylmethane-2,4’-diisocyanate2,4'-Methylenediphenyl Diisocyanate24MDIDiphenylmethan-2,4'-diisocyanatMixture of 4,4'-MDI and 2,4'-MDI
Isocyanic acid, diester with 2,4'-methylenediphenoldiphenylmethane-2,4-diisocyanateEC 227-534-9DIPHENYLMETHANE 2,4'-DIISOCYANATE1-ISOCYANATO-2-((4-ISOCYANATOPHENYL)METHYL)BENZENERefChem:442666Benzene, 1-isocyanato-2-(4-isocyanatophenyl)methyl-1-isocyanato-2-(4-isocyanatobenzyl)benzene
Database identifiers
- CAS
39420-98-9、5873-54-1- PubChem CID
- 62593
- DTXSID
DTXSID9027607- UNII
- YVQ6NX5H3Y
- EC Number
- 227-534-9
- Nikkaji
- J218.114B
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 376
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- 36 · 36-40 °C(lit.)
- Boiling point
- 376.3 · 376.3±35.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- vapor pressure
- 0.001 Pa · 0.001Pa at 20℃
- Flash point
- 110 °C · 110 °C
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Pale Beige
- Water Solubility
- 30 μg/L · 30μg/L at 22℃
- Stability
- Moisture Sensitive
- REACH Annex XVII Substances List
- 2 · 2,4’-Methylenediphenyl diisocyanate (5873-54-1)
- FDA UNII
- 6 NX5H3Y · YVQ6NX5H3Y
- EPA Substance Registry System
- -2 · Diphenylmethane-2,4'-diisocyanate (5873-54-1)
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Danger
- Hazard statements
- 334 · H334-H315-H373-H332-H317-H319-H351-H335
- Precautionary statements
- 260 · P260-P314-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P285-P304+P341-P342+P311-P501-P201-P202-P281-P308+P313-P405-P501-P261-P271-P304+P340-P312
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H315: Causes skin irritation [Warning Skin corrosion/irritation]
P203, P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1130) of reports.
Danger
H315 (> 99.9%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Regulatory Information
Chemical: Benzene, 1-isocyanato-2-[(4-isocyanatophenyl)methyl]-
Hazard Traits - Respiratory Toxicity
Benzene, 1-isocyanato-2-[(4-isocyanatophenyl)methyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-isocyanato-2-[(4-isocyanatophenyl)methyl]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 24-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13684
Restricted substance: 2,4â-Methylenediphenyl diisocyanate
Benzene, 1-isocyanato-2-(4-isocyanatophenyl)methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Benzene, 1-isocyanato-2-[(4-isocyanatophenyl)methyl]-: Environment tier I assessment
Hazard Classes and Categories
Skin Irrit. 2 (> 99.9%)
Acute toxicity - category 2
Respiratory sensitization - Category 1
Carc. 2
Safety data
- tsca
- TSCA listed
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard statements
- H334-H315-H373-H332-H317-H319-H351-H335
- REACH Registrations
- Active
- Precautionary statements
- P260-P314-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P285-P304+P341-P342+P311-P501-P201-P202-P281-P308+P313-P405-P501-P261-P271-P304+P340-P312
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 10,000,000 - <50,000,000 lb
Consumer UsesBinder
Industry UsesOther
General Manufacturing Information
Plastics Product Manufacturing
Benzene, 1-isocyanato-2-[(4-isocyanatophenyl)methyl]-: ACTIVE
Applications
Uses2 4''-Methylenebis(phenyl Isocyanate) is a research reagent used for studies on emission behavior of reactive polyurethane hotmelt adhesives.
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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