Benzaldehyde, 3-amino-
Basic information
- CAS
1709-44-0- Standard SMILES
Nc1cccc(C=O)c1- InChIKey
SIXYIEWSUKAOEN-UHFFFAOYSA-N- Molecular formula
- C7H7NO
- Average molar mass
- 121.14 g/mol
- Monoisotopic mass
- 121.05276384
Overview
See also: 3-Aminobenzaldehyde polymer (annotation moved to).
Names & identifiers
- Preferred name
- Benzaldehyde, 3-amino-
- IUPAC
- 3-aminobenzaldehyde
- English name
- 3-Aminobenzaldehyde
- Molecular formula
- C7H7NO
- Molecular weight
- 121.14
Names & synonyms
3-Aminobenzaldehyde1709-44-0Benzaldehyde, 3-amino-3-FormylanilineBenzaldehyde, m-amino-NSC 36957EINECS 216-968-4DTXSID0061901RefChem:117109Benzaldehyde, m-amino-(8CI)DTXCID4035469m-Aminobenzaldehyde
Show more names
3-AMINOBENALDEHYDE3-amino-benzaldehydBenzaldehyde,3-amino-META-AMINOBENZALDEHYDEPOLY(3-AMINOBENZALDEHYDE)M-AMINOBENZALDEHYDE POLYMER
29159-23-73-amino-benzaldehydem-AminobenzaldehydMFCD00147530Erlotinib Impurity 1223-aminobenzenecarbaldehydem-AMINOBENZALDEHYDE HClSCHEMBL245731
Database identifiers
- CAS
1709-44-0、29159-23-7- PubChem CID
- 74366
- DTXSID
DTXSID0061901- ChEMBL
CHEMBL3884023- EC Number
- 216-968-4
- Nikkaji
- J7.759C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Melting point
- 28 · 28-30 °C
- Boiling point
- 270.3 · 270.3±23.0 °C(Predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.39 · 3.39±0.10(Predicted)
- EPA Substance Registry System
- 3 · Benzaldehyde, 3-amino- (1709-44-0)
- Symbol(GHS)
- 6 · GHS06,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H317-H373-H411
- Precautionary statements
- 273 · P273-P280-P301+P310
- 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.
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08,GHS09
- Hazard statements
- H301+H311+H331-H317-H373-H411
- Precautionary statements
- P273-P280-P301+P310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 3-amino-: ACTIVE
Applications
Uses3-AMINOBENZALDEHYDE POLYMER can be used as an intermediate in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
13 records
Compound notes
Loading…