Dimethyl 5-((3-(2-nitrophenyl)-2-propenylidene)amino)isophthalate
Basic information
- CAS
391632-27-2- Standard SMILES
COC(=O)c1cc(N=C/C=C/c2ccccc2[N+](=O)[O-])cc(C(=O)OC)c1- InChIKey
RXQLPGPZFBPPSC-JMCFLOHDSA-N- Molecular formula
- C19H16N2O6
- Average molar mass
- 368.3 g/mol
- Monoisotopic mass
- 368.10083623
Names & identifiers
- Preferred name
- Dimethyl 5-((3-(2-nitrophenyl)-2-propenylidene)amino)isophthalate
- IUPAC
- dimethyl 5-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzene-1,3-dicarboxylate
- English name
- 1,3-dimethyl 5-[(E)-[(2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]amino]benzene-1,3-dicarboxylate
- Molecular formula
- C19H16N2O6
- Molecular weight
- 368.34
Names & synonyms
391632-27-2DIMETHYL 5-((3-(2-NITROPHENYL)-2-PROPENYLIDENE)AMINO)ISOPHTHALATERefChem:588222668-376-4Dimethyl 5-((3-(2-nitrophenyl)allylidene)amino)isophthalateAKOS0244360961,3-dimethyl 5-[(E)-[(2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]amino]benzene-1,3-dicarboxylate
Database identifiers
- CAS
391632-27-2- PubChem CID
- 90486703
- EC Number
- 668-376-4
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 573
Physicochemical properties
- Boiling point
- 567.018 · 567.018±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.239 · 1.239±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.475 · 2.475±0.50(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…