Basic information
- CAS
31370-61-3- Standard SMILES
Cc1c(N=C=O)cccc1N=C=O.Cc1ccc(N=C=O)cc1N=C=O- InChIKey
LNKSOGFDOODVSP-UHFFFAOYSA-N- Molecular formula
- C18H12N4O4
- Average molar mass
- 348.3 g/mol
- Monoisotopic mass
- 348.08585488
Names & identifiers
- Preferred name
- 1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1)
- IUPAC
- 1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene
- English name
- Benzene, 1,3-diisocyanato-2-methyl-, polymer with 2,4-diisocyanato-1-methylbenzene
- Molecular formula
- C18H12N4O4
- Molecular weight
- 348.31228
Names & synonyms
DTXSID109534121,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1)RefChem:1052853DTXCID901381464MFCD017782511,3-Diisocyanatomethylbenzene2,4-tolylene diisocyanate 2,6-tolylene diisocyanateDiisocyanatotoluene; Methylphenylene ester Isocyanic Acid; Methyl-m-phenylene isocyanate; Methylphenylene isocyanate; Toluene DiisocyanateSCHEMBL5613485DB-2259171,3-diisocyanato-2-methyl-benzene;2,4-diisocyanato-1-methyl-benzene1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene
Show more names
2,4-Toluene diisocyanate, 2,6-toluene diisocyanate polymerbenzene, 1,3-diisocyanato-2-methyl-, polymer with 2,4-diisocyanato-1-methylbenzBenzene, 1,3-diisocyanato-2-methyl-, polymer with 2,4-diisocyanato-1-methylbenzene
1,3-Diisocyanato-2-methylbenzene-2,4-diisocyanato-1-methylbenzene (1:1)
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 504
Physicochemical properties
- EPA Substance Registry System
- 1 · Benzene, 1,3-diisocyanato-2-methyl-, polymer with 2,4-diisocyanato-1-methylbenzene (31370-61-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
1 records
Compound notes
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