Basic information
- CAS
50670-83-2- Standard SMILES
CC(=O)Nc1ccc(N)c(C(=O)O)c1- InChIKey
GSOHXJQXAKNJES-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.06914218
Names & identifiers
- Preferred name
- Benzoic acid, 5-(acetylamino)-2-amino-
- IUPAC
- 5-acetamido-2-aminobenzoic acid
- English name
- 5-Acetamidoanthranilic acid
- Molecular formula
- C9H10N2O3
- Molecular weight
- 194.19
Names & synonyms
50670-83-25-Acetamido-2-aminobenzoic acid5-Acetamidoanthranilic AcidBenzoic acid, 5-(acetylamino)-2-amino-5-(Acetylamino)-2-aminobenzoic acidEINECS 256-702-4DTXSID5068574RefChem:566100DTXCID5040887256-702-42-amino-5-acetamidobenzoic acidMFCD00060120
Show more names
5-Acetylaminoanthanilic acid5-ACETYLAMINO ANTHRANILIC ACID5-Acetamidoanthranilic Acid >2-Amino-5-Acetamino Benzoic Acid5-Acetamide-2-Amino-benzoic acid5-Acetamide-2-Amine-benzoic acid
5-Acetamido-2-aminobenzoic acid;5-Acetamido-2-aminobenzoic acid5-Acetamido-2-aminobenzoicacid5-acetamido-2-amino-benzoic acid3ULJ2S9XEFSCHEMBL2584395-Acetamino-2-aminobenzoicacidSCHEMBL315974912-Amino-5-acetamino benzoic acid
Database identifiers
- CAS
50670-83-2- PubChem CID
- 170890
- DTXSID
DTXSID5068574- UNII
- 3ULJ2S9XEF
- EC Number
- 256-702-4
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 230 °C · 230°C (dec.)
- Boiling point
- 365.8 · 365.8±32.0 °C(Predicted)
- Density
- 1.414 · 1.414±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- 1.99 · 1.99±0.10(Predicted)
- color
- White to Gray to Brown
- BRN
- 2726882 · 2726882
- CAS DataBase Reference
- 50670 · 50670-83-2(CAS DataBase Reference)
- EPA Substance Registry System
- 5 · Benzoic acid, 5-(acetylamino)-2-amino- (50670-83-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P305+P351+P338+P337+P313
- Hazard Codes
- Xn
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (88.6%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2924.29.7790
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 5-(acetylamino)-2-amino-: INACTIVE
Applications
Uses5-Acetamidoanthranilic acid is used as a reactant in the preparation of condensed heteroaryl derivatives as phosphatidylinositol 3-kinase inhibitors and anticancer agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers52 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Related reactions
1 records
Compound notes
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