3,5-Bis(acetylamino)benzoic acid
Basic information
- CAS
7743-39-7- Standard SMILES
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O)c1- InChIKey
GEDTXYBZWNEYAB-UHFFFAOYSA-N- Molecular formula
- C11H12N2O4
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.07970687
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 3,5-Bis(acetylamino)benzoic acid
- IUPAC
- 3,5-diacetamidobenzoic acid
- English name
- 3,5-bis(acetylamino)benzoic acid
- Molecular formula
- C11H12N2O4
- Molecular weight
- 236.22
Names & synonyms
3,5-Diacetamidobenzoic acid7743-39-73,5-Bis(acetylamino)benzoic acidBenzoic acid, 3,5-bis(acetylamino)-WHS48E2MRANSC-369057DTXSID2064789RefChem:91406DTXCID8047975231-804-1MFCD00026136EINECS 231-804-1
Show more names
3,5-bis(2-oxopropanamido)benzoic acid3,5-bis(acetylamino)benzoic acid(SALTDATA: FREE)3,5-Bis(2-oxo-propancarboxcarboxcarboxamido)-benzoic acid
NSC 369057UNII-WHS48E2MRA3,5-DiacetamidobenzoicacidCambridge id 6044402Oprea1_277476SCHEMBL27355963,5-di(acetylamino)benzoic acidGEDTXYBZWNEYAB-UHFFFAOYSA-N
Database identifiers
- CAS
7743-39-7- PubChem CID
- 49351
- DTXSID
DTXSID2064789- UNII
- WHS48E2MRA
- EC Number
- 231-804-1
- Nikkaji
- J326.540D
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Off-White to Pale Brown
- FDA UNII
- 48 E2MRA · WHS48E2MRA
- EPA Substance Registry System
- 3 · Benzoic acid, 3,5-bis(acetylamino)- (7743-39-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 3,5-bis(acetylamino)-: INACTIVE
Suppliers
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Related reactions
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Compound notes
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