Basic information
- CAS
611-21-2- Standard SMILES
CNc1ccccc1C- InChIKey
GUAWMXYQZKVRCW-UHFFFAOYSA-N- Molecular formula
- C8H11N
- Average molar mass
- 121.18 g/mol
- Monoisotopic mass
- 121.08914935
Names & identifiers
- Preferred name
- 2,N-Dimethylaniline
- IUPAC
- N,2-dimethylaniline
- English name
- N-METHYL-O-TOLUIDINE
- Molecular formula
- C8H11N
- Molecular weight
- 121.18
Names & synonyms
N,2-DimethylanilineN-Methyl-o-toluidine611-21-22,N-DimethylanilineN,o-Dimethylanilineo-Toluidine, N-methyl-Benzenamine, N,2-dimethyl-o,N-DimethylanilineN,2-Dimethylbenzenaminen-methyl-o-methylanilinen-methyl-2-methylaniline2-Methyl-N-methylaniline
Show more names
N-Methyl-o-tN-Methyl-o-touidineN,6-DimethylanilineN-METHYL-2-TOLUIDINE
E41NZ1ZY58NSC 9395NSC-9395EINECS 210-260-9METHYL(O-TOLYL)AMINEDTXSID4060600N-METHYL-N-(O-TOLYL)AMINEN-METHYL-2-METHYLBENZENAMINE
Database identifiers
- CAS
611-21-2- PubChem CID
- 69137
- DTXSID
DTXSID4060600- UNII
- E41NZ1ZY58
- EC Number
- 210-260-9
- Nikkaji
- J2.082F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 80.6
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
LogP2.16
Physicochemical properties
- Melting point
- -10.08 °C · -10.08°C (estimate)
- Boiling point
- 207 °C · 207 °C
- Density
- 0.97 · 0.97
- refractive index
- 1.562 · 1.562-1.565
- Flash point
- 79.4 °C · 79.4 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Water Solubility
- Practically insoluble in water
- form
- clear liquid
- pka
- 4.72 · 4.72±0.10(Predicted)
- color
- White to Yellow to Green
- InChI
- InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3
- InChIKey
- GUAWMXYQZKVRCW-UHFFFAOYSA-N
- SMILES
- C1(NC)=CC=CC=C1C
- CAS DataBase Reference
- 611 · 611-21-2(CAS DataBase Reference)
- FDA UNII
- 41 NZ1ZY58 · E41NZ1ZY58
- EPA Substance Registry System
- 2 · Benzenamine, N,2-dimethyl- (611-21-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H373-H412
- Precautionary statements
- 273 · P273-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P314
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- T
- Risk Statements
- 52 · 52/53-33-23/24/25
- Safety Statements
- 61 · 61-45-36/37-28A-28
- RIDADR
- 1711 · 1711
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- II
- HS Code
- 2921490090 · 2921490090
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 3STOT RE 2
Safety & regulation
GHS classification
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute toxicity - category 3
Acute Tox. 3 *
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1711
- hs_code
- 2921490090
- risk_code
- 52/53-33-23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- T
- safety_code
- 61-45-36/37-28A-28
- hazard_class
- 6.1(a)
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- II
- Hazard statements
- H301+H311+H331-H373-H412
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 3STOT RE 2
- Precautionary statements
- P273-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P314
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, N,2-dimethyl-: INACTIVE
Applications
UsesReactant for:Palladium-catalyzed coupling reactionsPalladium-catalyzed amination of bromoindazoles
General DescriptionN-Methyl-o-toluidine can be synthesized by reacting o-toluidine and benzotriazole.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
9 records
Compound notes
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