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| CAS No.: | 52099-72-6 |
|---|---|
| Name: | 1-ISOPROPENYL-2-BENZIMIDAZOLIDINONE |
| Article Data: | 26 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H10 N2 O |
| Molecular Weight: | 174.202 |
| Synonyms: | 2-Benzimidazolinone,1-isopropenyl- (6CI); 1-Isopropenyl-2-benzimidazolidinone;1-Isopropenyl-2-benzimidazolone; N-Isopropenyl-2-benzimidazolone; NSC 280600 |
| EINECS: | 257-661-5 |
| Density: | 1.179g/cm3 |
| Melting Point: | 120-124 °C |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Appearance: | Off-White Crystalline Solid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | R22 |
| Safety: | 140587 |
| PSA: | 37.79000 |
| LogP: | 1.82020 |
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- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
- 141-97-9
ethyl acetoacetate
- 95-54-5
1,2-diamino-benzene
- 52099-72-6
1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide for 0.0833333h; Microwave irradiation; | 96% |
| With sodium hydroxide In o-xylene at 130℃; for 7h; Reagent/catalyst; Solvent; Temperature; | 94% |
| In 5,5-dimethyl-1,3-cyclohexadiene for 6h; Reflux; | 90% |
- 105-45-3
acetoacetic acid methyl ester
- 95-54-5
1,2-diamino-benzene
- 52099-72-6
1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water; xylene Heating; | 78% |
| With potassium hydroxide In 5,5-dimethyl-1,3-cyclohexadiene; water |
- 141-97-9
ethyl acetoacetate
- 95-54-5
1,2-diamino-benzene
A
- 52099-72-6
1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one
B
- 81128-80-5
2-methylbenzimidazole
| Conditions | Yield |
|---|---|
| at 150℃; for 0.0833333h; | A 75% B n/a |
- 56-23-5
tetrachloromethane
- 141-97-9
ethyl acetoacetate
- 95-54-5
1,2-diamino-benzene
- 52099-72-6
1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one
- 141-97-9
ethyl acetoacetate
- 95-54-5
1,2-diamino-benzene
A
- 6276-48-8
4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one
B
- 52099-72-6
1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one
| Conditions | Yield |
|---|---|
| With xylene |
- 6276-48-8
4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one
- 52099-72-6
1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one
| Conditions | Yield |
|---|---|
| In xylene Heating; | |
| In xylene for 3h; Heating; Yield given; |
- 56-23-5
tetrachloromethane
- 141-97-9
ethyl acetoacetate
- 95-54-5
1,2-diamino-benzene
A
- 52099-72-6
1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one
- 95-54-5
1,2-diamino-benzene
- 52099-72-6
1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: xylene / 1.5 h / Heating 2: xylene / 3 h / Heating View Scheme |
- 30414-53-0
methyl propanoyl acetate
- 95-54-5
1,2-diamino-benzene
B
- 52099-72-6
1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one
- 609-14-3
2-acetylpropanoic acid ethyl ester
- 95-54-5
1,2-diamino-benzene
B
- 52099-72-6
1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one
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Chemistry
Molecular Structure of 2H-Benzimidazol-2-one,1,3-dihydro-1-(1-methylethenyl)- (CAS NO.52099-72-6):
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Empirical Formula: C10H10N2O
Molecular Weight: 174.1992
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 23.55 Å2
Index of Refraction: 1.587
Molar Refractivity: 49.62 cm3
Molar Volume: 147.6 cm3
Surface Tension: 42.8 dyne/cm
Density: 1.179 g/cm3
InChI
InChI=1/C10H10N2O/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)13/h3-6H,1H2,2H3,(H,11,13)
Smiles
c1(n(c2ccccc2[nH]1)C(=C)C)=O
BRN: 140587
Melting point: 120-124 °C
EINECS: 257-661-5
Product Categories: Benzimidazole; Aromatics Compounds; Imidaxoles; Aromatics
Safety Profile
Hazard Codes: 
Xn,
T
Risk Statements: 22-25
R22:Harmful if swallowed.
R25 :Toxic if swallowed.
Safety Statements: 22-24/25-45
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2810 6.1/PG 3
Specification
2H-Benzimidazol-2-one,1,3-dihydro-1-(1-methylethenyl)- , with CAS number of 52099-72-6, can be called 1-(2-Propenyl)-2-benzimidazolidinone ; 1,3-dihydro-1-(1-methylethenyl)-2h-benzimidazole-2-one ; 1-isopropenyl-1,3-dihydro-2h-1,3-benzimidazol-2-one ; 1-isopropenyl-2-benzimidazolidinone ; isopropenyl-benzimidazolidinone-2 ; iflab-bb f0451-0304 ; timtec-bb sbb006406 ; 1-(methylvinyl)-1h-benzimidazol-2(3h)-one .It is an off-white crystalline solid.