Bis(2-naphthyl) N,N'-(4-methyl-1,3-phenylene)biscarbamate
Basic information
- CAS
29455-59-2- Standard SMILES
Cc1ccc(NC(=O)Oc2ccc3ccccc3c2)cc1NC(=O)Oc1ccc2ccccc2c1- InChIKey
OEEZVYKWUHWERE-UHFFFAOYSA-N- Molecular formula
- C29H22N2O4
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.15795719
Names & identifiers
- Preferred name
- Bis(2-naphthyl) N,N'-(4-methyl-1,3-phenylene)biscarbamate
- IUPAC
- naphthalen-2-yl N-[2-methyl-5-(naphthalen-2-yloxycarbonylamino)phenyl]carbamate
- English name
- Toluene-2,4-dicarbamicacid, di-2-naphthyl ester (8CI)
- Molecular formula
- C29H22N2O4
- Molecular weight
- 462.49598
Names & synonyms
bis(2-naphthyl) n,n'-(4-methyl-1,3-phenylene)biscarbamateRefChem:568803660-542-429455-59-2Di(naphthalen-2-yl) (4-methyl-1,3-phenylene)dicarbamateCarbamic acid, N,N'-(4-methyl-1,3-phenylene)bis-, C,C'-di-2-naphthalenyl esternaphthalen-2-yl N-(4-methyl-3-{[(naphthalen-2-yloxy)carbonyl]amino}phenyl)carbamatenaphthalen-2-yl N-[2-methyl-5-(naphthalen-2-yloxycarbonylamino)phenyl]carbamateNSC203952SCHEMBL1837122DTXSID10308428C29H22N2O4
Show more names
Toluene-2,4-dicarbamicacid, di-2-naphthyl ester (8CI)
MFCD00158493AKOS024434085NSC-203952AS-80822E77581Di(naphthalen-2-yl) (4-methyl-1,3-phenylene)biscarbamate2-naphthyl N-[2-methyl-5-(2-naphthyloxycarbonylamino)phenyl]carbamateCarbamic acid, N,?N'-?(4-?methyl-?1,?3-?phenylene)?bis-?, C,?C'-?di-?2-?naphthalenyl ester
Database identifiers
- CAS
29455-59-2- PubChem CID
- 306274
- DTXSID
DTXSID10308428- EC Number
- 660-542-4
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 729
Physicochemical properties
- Boiling point
- 622.8 · 622.8±55.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- pka
- 12.61 · 12.61±0.70(Predicted)
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
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Compound notes
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