Basic information
- CAS
9050-83-3- Standard SMILES
Cc1ccc(N=C=O)cc1N=C=O.[H]OCCCCO- InChIKey
KGQBYZRIXFYPCU-UHFFFAOYSA-N- Molecular formula
- C13H16N2O4
- Average molar mass
- 264.28 g/mol
Names & identifiers
- Preferred name
- Butane-1,4-diol;2,4-diisocyanato-1-methylbenzene
- IUPAC
- butane-1,4-diol;2,4-diisocyanato-1-methylbenzene
- English name
- Poly(oxy-1,4-butanediyl), .alpha.-hydro-.omega.-hydroxy-, polymer with 2,4-diisocyanato-1-methylbenzene
- Molecular formula
- (C9H6N2O2.(C4H8O)nH2O)x
- Molecular weight
- 0
Names & synonyms
SCHEMBL2640978KGQBYZRIXFYPCU-UHFFFAOYSA-NTDI/ polytetramethylene glycol copolymerPoly(oxy-1,4-butanediyl), α-hydro-ω-hydroxy-, polymer with 2,4-diisocyanato-1-methylbenzeneALPHA-HYDRO-OMEGA-HYDROXY-POLY(OXY-1,4-BUTANEDIYL), POLYMER WITH 2,4-DIISOCYANATO-1-METHYLBENZENEPoly(oxy-1,4-butanediyl), .alpha.-hydro-.omega.-hydroxy-, polymer with 2,4-diisocyanato-1-methylbenzene
Database identifiers
- CAS
9050-83-3
Properties
Computed structural properties
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- EPA Substance Registry System
- -1 · Poly(oxy-1,4-butanediyl), .alpha.-hydro-.omega.-hydroxy-, polymer with 2,4-diisocyanato-1-methylbenzene (9050-83-3)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 317 · H317-H334
- Precautionary statements
- 261 · P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- 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
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H317-H334
- Precautionary statements
- P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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