2-Amino-3-formylbenzoic acid
Basic information
- CAS
27867-47-6- Standard SMILES
Nc1c(C=O)cccc1C(=O)O- InChIKey
VENQUFMWOGHOCF-UHFFFAOYSA-N- Molecular formula
- C8H7NO3
- Average molar mass
- 165.15 g/mol
- Monoisotopic mass
- 165.04259309
Names & identifiers
- Preferred name
- 2-Amino-3-formylbenzoic acid
- IUPAC
- 2-amino-3-formylbenzoic acid
- English name
- 2-Amino-3-formylbenzoic acid
- Molecular formula
- C8H7NO3
- Molecular weight
- 165.15
Names & synonyms
2-Amino-3-formylbenzoic acid27867-47-6DTXSID60600323RefChem:255371DTXCID405510812-Amino-3-formylbenzoicacid2-amino-3-formyl-benzoic acidMFCD06796555SCHEMBL25273832AKOS006345969AC-9123AS-36631
Show more names
Benzoic acid, 2-amino-3-formyl-2-AMINO-3-FORMYLBENZOIC ACID, 98+%
DB-020394CS-0171033EN300-197855F040239
Database identifiers
- CAS
27867-47-6- PubChem CID
- 19821419
- DTXSID
DTXSID60600323- EC Number
- 676-262-0
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 374.6 · 374.6±37.0 °C(Predicted)
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- pka
- 4.59 · 4.59±0.10(Predicted)
- CAS DataBase Reference
- 27867 · 27867-47-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
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
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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