Ethyl 4-formamidobenzoate
Basic information
- CAS
5422-63-9- Standard SMILES
CCOC(=O)c1ccc(NC=O)cc1- InChIKey
XXNAVWORVSFFAD-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- Ethyl 4-formamidobenzoate
- IUPAC
- ethyl 4-formamidobenzoate
- English name
- Ethyl 4-ForMaMidobenzoate
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
ethyl 4-formamidobenzoateRefChem:595418666-981-85422-63-9N-Formyl Benzocaineethyl 4-(formylamino)benzoateMFCD00021025Ethyl 4-Formamidobenzoate (N-Formylbenzocaine)Ethyl4-FormamidobenzoateBenzoic acid, 4-(formylamino)-, ethyl esterNSC12009Benzoic acid,4-(formylamino)-, ethyl ester
Show more names
Benzocaine N-Formyl ImpuritySCHEMBL4746034SCHEMBL5536709DTXSID30279262AC2321Ethyl 4-Formamidobenzoate (N-FormylNSC-12009AKOS014313685
Database identifiers
- CAS
5422-63-9- PubChem CID
- 223909
- DTXSID
DTXSID30279262- EC Number
- 666-981-8
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 146 · 146-147oC
- Boiling point
- 371.3 · 371.3±25.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 14.46 · 14.46±0.70(Predicted)
- color
- White to Off-White
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
- HS Code
- 2924297099 · 2924297099
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesN-Formyl Benzocaine is a degradation product of Benzocaine (B202970); a compound that is used as an anesthetic (local).
Upstream & downstream products
Upstream raw materials
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Compound notes
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