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CAS No.: | 4073-98-7 |
---|---|
Name: | 4,4'-Methylenebis(2,6-dimethylaniline) |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C17H22N2 |
Molecular Weight: | 254.375 |
Synonyms: | 2,6-Xylidine,4,4'-methylenedi- (8CI);3,3',5,5'-Tetramethyl-4,4'-diaminodiphenylmethane;4,4'-Methylenebis(2,6-dimethylaniline);4,4'-Methylenebis(2,6-xylidine);4,4'-Methylenedi-2,6-xylidine;Kayabond C 200;Kayabond C 200S; |
EINECS: | 223-786-9 |
Density: | 1.066 g/cm3 |
Melting Point: | 121-123 °C(lit.) |
Boiling Point: | 424.9 °C at 760 mmHg |
Flash Point: | 252.5 °C |
Solubility: | 27.02mg/L at 20℃ |
Appearance: | Off white powder |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36 |
PSA: | 52.04000 |
LogP: | 4.83780 |
bis(chloromethyl)mercury
2,6-dimethylaniline
4,4'-methylenebis(2,6-dimethylaniline)
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 20h; | 99% |
Conditions | Yield |
---|---|
With hydrogenchloride In water at 95 - 100℃; for 6.16667h; | 87% |
Stage #1: formaldehyd; 2,6-dimethylaniline With hydrogenchloride In water at 70℃; Stage #2: With hydrogenchloride In dichloromethane; water at 20℃; for 2h; Stage #3: With sodium hydroxide In diethyl ether; water | 86% |
hydrogenchloride In water for 14h; Heating; | 60% |
With hydrogenchloride Entsteht in Form seines salzsauren Salzes; | |
With hydrogenchloride at 65 - 70℃; for 6h; Condensation; |
Conditions | Yield |
---|---|
With 2,6-dimethylaniline at 20℃; for 30h; | A 74% B 86% |
C4H7ClHgO
2,6-dimethylaniline
A
4,4'-methylenebis(2,6-dimethylaniline)
B
acetone
Conditions | Yield |
---|---|
at 20℃; for 0.5h; | A 74% B 860 % |
NH-pyrazole
formaldehyd
2,6-dimethylaniline
A
4,4'-methylenebis(2,6-dimethylaniline)
B
1-(N-2,6-dimethylaniline)-1-(1N-pyrazol)-methane
Conditions | Yield |
---|---|
In water; benzene for 14h; Heating; | A 30% B 60% |
Conditions | Yield |
---|---|
hydrogenchloride In water for 8h; Heating; | A 59% B 35% |
dimethyl sulfoxide
2,6-dimethylaniline
A
4,4'-methylenebis(2,6-dimethylaniline)
B
4-amino-3,5-dimethylphenyl methyl sulphide
Conditions | Yield |
---|---|
With ammonium iodide In water at 140℃; for 16h; Reagent/catalyst; Sealed tube; regioselective reaction; | A 52% B 42% |
Conditions | Yield |
---|---|
With ammonium iodide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In water at 140℃; for 16h; Mechanism; Sealed tube; regioselective reaction; | 48% |
Metazachlor
A
NH-pyrazole
B
4,4'-methylenebis(2,6-dimethylaniline)
C
2-chloro-N-(2,6-dimethylphenyl)acetamide
Conditions | Yield |
---|---|
hydrogenchloride In water for 5h; Product distribution; Mechanism; Heating; variation of catalyst concentration, reaction time; | A 47% B 21% C 12% |
Conditions | Yield |
---|---|
With ammonium iodide In water at 140℃; for 16h; Mechanism; Sealed tube; regioselective reaction; | 21% |
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The Benzenamine,4,4'-methylenebis[2,6-dimethyl-, with CAS registry number 4073-98-7, belongs to the following product categories: (1)Industrial/Fine Chemicals; (2)Amines; (3)Miscellaneous; (4)Amine Monomers; (5)Monomers; (6)Primary Amines. It has the systematic name of 4,4'-methanediylbis(2,6-dimethylaniline). What's more, its EINECS is 223-786-9.
Physical properties of Benzenamine,4,4'-methylenebis[2,6-dimethyl-: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.48; (5)ACD/BCF (pH 5.5): 191.87; (6)ACD/BCF (pH 7.4): 260.24; (7)ACD/KOC (pH 5.5): 1372.8; (8)ACD/KOC (pH 7.4): 1862.01; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 83.33 cm3; (15)Molar Volume: 238.4 cm3; (16)Polarizability: 33.03×10-24cm3; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.066 g/cm3; (19)Flash Point: 252.5 °C; (20)Enthalpy of Vaporization: 67.95 kJ/mol; (21)Boiling Point: 424.9 °C at 760 mmHg; (22)Vapour Pressure: 1.99E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,6-dimethyl-aniline and formaldehyde. This reaction will need reagent hydrochloric acid.
When you are using this chemical, please be cautious about it as the following:
The Benzenamine,4,4'-methylenebis[2,6-dimethyl- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1c(cc(cc1C)Cc2cc(c(N)c(c2)C)C)C
(2)InChI: InChI=1/C17H22N2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8H,9,18-19H2,1-4H3
(3)InChIKey: OMHOXRVODFQGCA-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C17H22N2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8H,9,18-19H2,1-4H3
(5)Std. InChIKey: OMHOXRVODFQGCA-UHFFFAOYSA-N