Basic information
- CAS
74109-32-3- Standard SMILES
O=C(Nc1ccccc1)OCc1ccc([N+](=O)[O-])cc1- InChIKey
GBPNLOVPSNSXQF-UHFFFAOYSA-N- Molecular formula
- C14H12N2O4
- Average molar mass
- 272.26 g/mol
- Monoisotopic mass
- 272.07970687
Names & identifiers
- Preferred name
- 4-Nitrobenzyl carbanilate
- IUPAC
- (4-nitrophenyl)methyl N-phenylcarbamate
- English name
- Benzenemethanol, 4-nitro-, phenylcarbamate (ester) (9CI)
- Molecular formula
- C14H12N2O4
- Molecular weight
- 272.26
Names & synonyms
74109-32-34-NITROBENZYL CARBANILATERefChem:525940667-587-9CHEMBL174673SCHEMBL10490780SCHEMBL11183813[(4-nitrophenyl)methoxy]-N-benzamideAKOS024334287ST50548654Benzenemethanol, 4-nitro-, 1-(N-phenylcarbamate)Benzenemethanol, 4-nitro-, phenylcarbamate (ester) (9CI)
Database identifiers
- CAS
74109-32-3- PubChem CID
- 4569720
- ChEMBL
CHEMBL174673- EC Number
- 667-587-9
- Nikkaji
- J3.600.593I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Melting point
- 123 · 123-125 °C(Solv: chloroform (67-66-3); ethyl acetate (141-78-6))
- Boiling point
- 411.9 · 411.9±28.0 °C(Predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
- pka
- 13.23 · 13.23±0.70(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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