2,5-Diaminobenzoic Acid
Basic information
- CAS
610-74-2- Standard SMILES
Nc1ccc(N)c(C(=O)O)c1- InChIKey
UONVFNLDGRWLKF-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Names & identifiers
- Preferred name
- 2,5-Diaminobenzoic Acid
- IUPAC
- 2,5-diaminobenzoic acid
- English name
- 2,5-diaminobenzoic acid
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
2,5-Diaminobenzoic acid610-74-2Benzoic acid, 2,5-diamino-DTXSID7060592RefChem:82750DTXCID2042939833-805-8MFCD001276892,5-diaminobenzoicacid2,5-Diamino-benzoesaure2,5-Diaminobenzoic acid #Oprea1_543934
Show more names
2,5-diaminobenzoicaci5-Aminoanthranilic acid2,5-bis(azanyl)benzoic acid
SCHEMBL107833CHEMBL1624409BDBM48866cid_161952702,5-diaminobenzoic acid;hydrochlorideAKOS000634418FD70797NCGC00245525-01
Database identifiers
- CAS
610-74-2- PubChem CID
- 69126
- DTXSID
DTXSID7060592- ChEMBL
CHEMBL1624409- EC Number
- 833-805-8
- Nikkaji
- J95.529I
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 225 °C · 225 °C(dec.)
- Boiling point
- 398.1 · 398.1±32.0 °C(Predicted)
- Density
- 1.428 · 1.428±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 4.08 · 4.08±0.10(Predicted)
- form
- Solid
- Appearance
- Light yellow to green yellow Solid
- InChI
- InChI=1S/C7H8N2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,8-9H2,(H,10,11)
- InChIKey
- UONVFNLDGRWLKF-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(N)=CC=C1N
- EPA Substance Registry System
- 2 · Benzoic acid, 2,5-diamino- (610-74-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2,5-diamino-: INACTIVE
Applications
Uses2,5-Diaminobenzoic Acid
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
0 records
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Compound notes
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