2,4,6-Trimethoxyaniline
Basic information
- CAS
14227-17-9- Standard SMILES
COc1cc(OC)c(N)c(OC)c1- InChIKey
FNSAKXLEFPFZOM-UHFFFAOYSA-N- Molecular formula
- C9H13NO3
- Average molar mass
- 183.2 g/mol
- Monoisotopic mass
- 183.08954328
Names & identifiers
- Preferred name
- 2,4,6-Trimethoxyaniline
- IUPAC
- 2,4,6-trimethoxyaniline
- English name
- 2,4,6-Trimethoxyaniline
- Molecular formula
- C9H13NO3
- Molecular weight
- 183.2
Names & synonyms
2,4,6-Trimethoxyaniline14227-17-9EINECS 238-095-8DTXSID70161990RefChem:82132DTXCID5084481238-095-8Benzenamine, 2,4,6-trimethoxy-MFCD000171652,4,6-tri-methoxyanilineSCHEMBL1122691(2,4,6-trimethoxy-phenyl)-amine
Show more names
1406422,4,6-TrimethoxyanilinPhloroglucinol Impurity 371-AMINO-2,4,6-TRIMETHOXYBENZENE
AKOS000140047CS-W007291EN300-1762342,4,6-trimethoxybenzenamineFT-0748636A8852052,4,6-trimethoxy-phenylamine6TQ62ZN66V
Database identifiers
- CAS
14227-17-9- PubChem CID
- 84271
- DTXSID
DTXSID70161990- UNII
- 6TQ62ZN66V
- EC Number
- 238-095-8
- Nikkaji
- J216.915K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 29 · 29-31 °C
- Boiling point
- 125 · 125-127 °C(Press: 0.8 Torr)
- Density
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 5.08 · 5.08±0.10(Predicted)
- Appearance
- 31 °C · Dark purple to black 31°C Liquid
- InChI
- InChI=1S/C9H13NO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,10H2,1-3H3
- InChIKey
- FNSAKXLEFPFZOM-UHFFFAOYSA-N
- SMILES
- C1(N)=C(OC)C=C(OC)C=C1OC
- CAS DataBase Reference
- 14227 · 14227-17-9
- Comptox DTXSID
- 70161990 · DTXSID70161990
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
H302 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2922299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_note
- Harmful
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
77 records
Compound notes
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