Basic information
- CAS
27576-04-1- Standard SMILES
Nc1cccc(C(=O)O)c1N- InChIKey
KKTUQAYCCLMNOA-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Names & identifiers
- Preferred name
- 2,3-Diaminobenzoic acid
- IUPAC
- 2,3-diaminobenzoic acid
- English name
- 2,6-Diaminobenzoicacid
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
2,3-Diaminobenzoic acid603-81-6RefChem:441950624-709-5Diaminobenzoic acidBenzoic acid, diamino-27576-04-13-Carboxy-1,2-diaminobenzeneMFCD00137818SCHEMBL73593DTXSID20673212,3-Diaminobenzoic acid, 95%
Show more names
STK689866GS-6682SB75728AC-23068CS-0119510FT-06491602,3-diamino benzoic acidA20258
Database identifiers
- CAS
27576-04-1、603-81-6- PubChem CID
- 198069
- DTXSID
DTXSID2067321- EC Number
- 624-709-5
- Nikkaji
- J95.531K
Properties
Computed structural properties
- XLogP
- 0.5
- 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
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- Diaminobenzoic acid (27576-04-1)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.7%)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
34 records
Compound notes
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