2-(Dimethylcarbamoyl)benzoic acid
Basic information
- CAS
20320-37-0- Standard SMILES
CN(C)C(=O)c1ccccc1C(=O)O- InChIKey
MMJYFEBZBADSNQ-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- 2-(Dimethylcarbamoyl)benzoic acid
- IUPAC
- 2-(dimethylcarbamoyl)benzoic acid
- English name
- 2-(DiMethylcarbaMoyl)benzoic acid, 97%
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
2-(dimethylcarbamoyl)benzoic acidDTXSID40324914RefChem:460828DTXCID50276031837-004-420320-37-0N,N-Dimethylphthalamic acidMFCD01755760Butylphthalide Impurity 282-[(DIMETHYLAMINO)CARBONYL]BENZOIC ACIDButylphthalide Impurity N2SCHEMBL1018643
Show more names
Butyphthalide impurity 313-Butylphthalide Impurity 322-(DiMethylcarbaMoyl)benzoic acid, 97%Benzoic acid, 2-[(dimethylamino)carbonyl]-
2-(dimethylcarbamoyl)benzoicacidNIOSH/TH7125750Phthalamic acid, N,N-dimethyl-NSC407974AKOS000139809NSC-407974BS-27801CS-0208475
Database identifiers
- CAS
20320-37-0- PubChem CID
- 348589
- DTXSID
DTXSID40324914- EC Number
- 837-004-4
- Nikkaji
- J330.944D
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 124 · 124-125 °C
- Boiling point
- 389.3 · 389.3±25.0 °C(Predicted)
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- pka
- 3.48 · 3.48±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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