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| CAS No.: | 558-42-9 |
|---|---|
| Name: | 1-CHLORO-2-METHYL-2-PROPANOL |
| Article Data: | 51 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H9 Cl O |
| Molecular Weight: | 108.568 |
| Synonyms: | 1,1-Dimethyl-2-chloroethylalcohol; 1-Chloro-2-methyl-2-propanol; 2-Chloro-1,1-dimethylethanol;Chloro-tert-butyl alcohol; Isobutylene chlorohydrin; NSC 46574 |
| EINECS: | 209-196-4 |
| Density: | 1.058 |
| Melting Point: | -20°C |
| Boiling Point: | 131 ºC at 760 mmHg |
| Flash Point: | 61 ºC |
| Appearance: | CLEAR COLOURLESS TO YELLOW LIQUID |
| Hazard Symbols: |
|
| Risk Codes: | R10 |
| Safety: | 23-24/25 |
| Transport Information: | UN 1987 |
| PSA: | 20.23000 |
| LogP: | 0.99610 |
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- 829-95-8
4-hydroxy-4-methyl-1-phenyl-2-thiapentane
A
- 558-42-9
3-chloro-2-methylpropan-2-ol
B
- 63196-87-2
1-benzylthio-2-methylpropene
C
- 880-22-8
benzyl 3-methylbut-2-en-1-yl sulfide
D
- 112425-40-8
4,4-dimethylisothiochroman
| Conditions | Yield |
|---|---|
| aluminium trichloride; nitromethane In carbon disulfide for 40h; Ambient temperature; Further byproducts given; | A 10% B 30% C 2% D 50% |
- 829-95-8
4-hydroxy-4-methyl-1-phenyl-2-thiapentane
A
- 558-42-9
3-chloro-2-methylpropan-2-ol
B
- 63196-87-2
1-benzylthio-2-methylpropene
C
- 112425-40-8
4,4-dimethylisothiochroman
| Conditions | Yield |
|---|---|
| aluminium trichloride; nitromethane In carbon disulfide for 40h; Ambient temperature; Further byproducts given; | A 10% B 30% C 50% D 2% |
- 829-95-8
4-hydroxy-4-methyl-1-phenyl-2-thiapentane
A
- 558-42-9
3-chloro-2-methylpropan-2-ol
B
- 880-22-8
benzyl 3-methylbut-2-en-1-yl sulfide
C
- 112425-40-8
4,4-dimethylisothiochroman
| Conditions | Yield |
|---|---|
| aluminium trichloride; nitromethane In carbon disulfide for 40h; Ambient temperature; Further byproducts given; | A 10% B 2% C 50% D 2% |
| Conditions | Yield |
|---|---|
| With sulfuric acid; water for 2.5h; Ambient temperature; | 44% |
| With sodium tetrahydroborate; mercury(II) diacetate Product distribution; 2.) EtOH, -4 to +4 deg C, 20 min; | |
| With sulfuric acid at 5 - 10℃; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; diethyl ether |
| Conditions | Yield |
|---|---|
| With water Hydrolysis; | |
| With water; calcium carbonate Hydrolysis; | |
| With water |
| Conditions | Yield |
|---|---|
| With sulfuric acid at -10 - 0℃; | |
| With perchloric acid | |
| With nitric acid |
- 917-64-6
methyl magnesium iodide
- 105-39-5
chloroacetic acid ethyl ester
- 558-42-9
3-chloro-2-methylpropan-2-ol
| Conditions | Yield |
|---|---|
| Destillation des Reaktionsprodukts unter Normaldruck; |
- 75-16-1
methylmagnesium bromide
- 105-39-5
chloroacetic acid ethyl ester
- 558-42-9
3-chloro-2-methylpropan-2-ol
| Conditions | Yield |
|---|---|
| With diethyl ether |
| Conditions | Yield |
|---|---|
| bei dieser Bildung ist Methylmagnesiumjodid nicht anwendbar; |
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Chemistry
The molecular structure of 2-Propanol,1-chloro-2-methyl- (CAS NO.558-42-9) is
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IUPAC Name: 1-Chloro-2-methylpropan-2-ol
Canonical SMILES: CC(C)(CCl)O
Molecular Formula: C4H9ClO
Molecular Weight: 108.5667
EINECS: 209-196-4
Density: 1.048 g/cm3
Boiling Point: 131 ºC at 760 mmHg
Flash Point: 61 ºC
Appearance: Clear colourless to yellow liquid
Freely Rotating Bonds: 2
Polar Surface Area: 9.23 Å2
Index of Refraction: 1.433
Molar Refractivity: 26.93 cm3
Molar Volume: 103.5 cm3
Polarizability: 10.67 ×10-24 cm3
Surface Tension: 29.6 dyne/cm
Enthalpy of Vaporization: 42.95 kJ/mol
Vapour Pressure: 4.2 mmHg at 25°C
The Cas Register Number of 2-Propanol,1-chloro-2-methyl- is 558-42-9. The chemical synonyms of 2-Propanol,1-chloro-2-methyl- (CAS NO.558-42-9) are Chloro-tert-butanol ; Chloro-tert-butyl alcohol ; 1-Chloro-2-methylpropanol-2-ol ; 1-Chloro-2-methyl-2-propanol ; 2-Chloro-tert-butyl alcohol ; 1-chloro-2-methylpropan-2-ol ; 1-Chloro-2-methyl-2-propanol (intermediate of lercanidipine) ; 1-chloro-2-methyl-propan-ol . Product categories are Alcohols ; Chlorine Compounds .
Uses
2-Propanol,1-chloro-2-methyl- (CAS NO.558-42-9) is used aas intermediate of lercanidipine.
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 10
R10: Flammable.
Safety Statements: 23-23/25
R23: Toxic by inhalation.
R23/25: Toxic by inhalation and if swallowed.
RIDADR: UN 1987 3/PG 3
WGK Germany: 3
HazardClass: 3
PackingGroup: III