Basic information
- CAS
5961-59-1- Standard SMILES
CNc1ccc(OC)cc1- InChIKey
JFXDIXYFXDOZIT-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- N-Methyl-4-anisidine
- IUPAC
- 4-methoxy-N-methylaniline
- English name
- N-Methyl-p-anisidine
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
4-Methoxy-N-methylanilineN-Methyl-4-anisidine4-Methoxy-N-methylbenzenamineBY92T4GBX5EINECS 227-735-1NSC 159085NSC-159085DTXSID80208289RefChem:163710DTXCID50130780227-735-1InChI=1/C8H11NO/c1-9-7-3-5-8(10-2)6-4-7/h3-6,9H,1-2H
Show more names
N-METHYL-PARA-ANISIDINEN-Methyl-p-anisidine>N-Methyl-p-anisidine,98%p-Methoxy-N-methylaniline
JFXDIXYFXDOZIT-UHFFFAOYSA-N5961-59-1N-Methyl-p-anisidineBenzenamine, 4-methoxy-N-methyl-N-Methyl-4-methoxyanilinep-Anisidine, N-methyl-N-Methyl-p-ansidine1-Methylamino-4-methoxybenzene
Database identifiers
- CAS
5961-59-1- PubChem CID
- 22250
- DTXSID
DTXSID80208289- UNII
- BY92T4GBX5
- EC Number
- 227-735-1
- Nikkaji
- J28.358D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87.3
Physicochemical properties
- Melting point
- 33 · 33-36 °C(lit.)
- Boiling point
- 135 · 135-136 °C19 mm Hg(lit.)
- Density
- 1.063 · 1.0630 (rough estimate)
- refractive index
- 1.547 · 1.5470 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Methanol
- form
- Solid
- pka
- 5.55 · 5.55±0.12(Predicted)
- color
- Yellow
- BRN
- 774640 · 774640
- InChI
- InChI=1S/C8H11NO/c1-9-7-3-5-8(10-2)6-4-7/h3-6,9H,1-2H3
- InChIKey
- JFXDIXYFXDOZIT-UHFFFAOYSA-N
- SMILES
- C1(NC)=CC=C(OC)C=C1
- CAS DataBase Reference
- 5961 · 5961-59-1(CAS DataBase Reference)
- FDA UNII
- 92 T4GBX5 · BY92T4GBX5
- NIST Chemistry Reference
- 4 · Benzenamine, 4-methoxy-N-methyl-(5961-59-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 22 · 22-24/25-36/37
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- F
- 10 · 10
- HazardClass
- 6.1 · 6.1
- HS Code
- 29222990 · 29222990
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29222990
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-24/25-36/37
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesN-METHYL-P-ANISIDINE was used to study the additive effects of amines.
Uses4-Methoxy-N-methylaniline (N-Methyl-p-anisidine) was used to study the additive effects of amines.
General DescriptionThe allylation of N-methyl-p-anisidine by quaternary allylammonium cation was studied.
Upstream & downstream products
Upstream raw materials
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Related reactions
895 records
Compound notes
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