Basic information
- CAS
101-65-5- Standard SMILES
O=C(Nc1ccc(Cc2ccc(NC(=O)Oc3ccccc3)cc2)cc1)Oc1ccccc1- InChIKey
LKYATCXVAUHHMS-UHFFFAOYSA-N- Molecular formula
- C27H22N2O4
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.15795719
Names & identifiers
- Preferred name
- Diphenyl (methylenedi-4,1-phenylene)-dicarbamate
- IUPAC
- phenyl N-[4-[[4-(phenoxycarbonylamino)phenyl]methyl]phenyl]carbamate
- English name
- diphenyl (methylenedi-4,1-phenylene)-dicarbamate
- Molecular formula
- C27H22N2O4
- Molecular weight
- 438.48
Names & synonyms
Diphenyl (methylenedi-4,1-phenylene)-dicarbamateCarbamic acid, (methylenedi-4,1-phenylene)bis-, diphenyl esterCarbamic acid, N,N'-(methylenedi-4,1-phenylene)bis-, C,C'-diphenyl esterRefChem:588814202-963-4101-65-5Diphenyl 4,4'-methylenebis(phenylcarbamate)phenyl N-[4-[[4-(phenoxycarbonylamino)phenyl]methyl]phenyl]carbamateEINECS 202-963-4Oprea1_249195SCHEMBL983506DTXSID90861708
Show more names
4,4''-Methylenebis-(phenylcarbanilate)N,N'-Bis(phenoxycarbonyl)(4,4'-methylenebisaniline)Methylenebis(4,1-phenylene)bis(carbamic acid phenyl) esterCARBAMICACID,(METHYLENEDI-4,1-PHENYLENE)BIS-,DIPHENYLESTER(methylenedi-4,1-phenylene)bis-carbamic acid diphenyl ester[Methylenebis(4,1-phenylene)]biscarbamic acid diphenyl ester
LKYATCXVAUHHMS-UHFFFAOYSA-NAKOS024431086DB-208508DIPHENYL 4,4'-METHYLENEDICARBANILATENS00041333Diphenyl (methylenedi-4,1-phenylene)biscarbamateDiphenyl [methylenedi(4,1-phenylene)]biscarbamate
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 547
Experimental & physicochemical properties
Physical DescriptionDry Powder
Physicochemical properties
- Melting point
- 168 °C · 168 °C
- Boiling point
- 552.72 ℃ · 552.72℃
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- pka
- 12 · 12+-.0.70(Predicted)
- LogP
- 5.97 at · 5.97 at 25℃
- EPA Substance Registry System
- 4 · Diphenyl 4,4'-methylenebis(phenylcarbamate) (101-65-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H317
- Precautionary statements
- 261 · 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 32.8% (19 of 58) of reports.
Warning
H317 (67.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Carbamic acid, (methylenedi-4,1-phenylene)bis-, diphenyl ester
Carbamic acid, N,N'-(methylenedi-4,1-phenylene)bis-, C,C'-diphenyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Carbamic acid, N,N'-(methylenedi-4,1-phenylene)bis-, C,C'-diphenyl ester 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)
REACH registered substance: Diphenyl (methylenedi-4,1-phenylene)-dicarbamate (EC: 202-963-4)
Hazard Classes and CategoriesSkin Sens. 1 (67.2%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 177,000 lb
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
Not Known or Reasonably Ascertainable
Carbamic acid, N,N'-(methylenedi-4,1-phenylene)bis-, C,C'-diphenyl ester: ACTIVE
Suppliers3 total
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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