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CAS No.: | 630-17-1 |
---|---|
Name: | 1-Bromo-2,2-dimethylpropane |
Article Data: | 35 |
Molecular Structure: | |
Formula: | C5H11Br |
Molecular Weight: | 151.046 |
Synonyms: | 1-Bromo-2,2-dimethylpropane;2,2-Dimethyl-1-bromopropane;2,2-Dimethylpropyl bromide;Neopentyl bromide; |
EINECS: | 211-132-5 |
Density: | 1.215 g/cm3 |
Melting Point: | -105.4°C (estimate) |
Boiling Point: | 107.9 °C at 760 mmHg |
Flash Point: | 6.7 °C |
Solubility: | Soluble in ethanol, ether, aetone and benzene. Insoluble in water. |
Appearance: | colourless liquid |
Hazard Symbols: | F,Xi |
Risk Codes: | 11-36/37/38 |
Safety: | 26 |
Transport Information: | UN 1993 3/PG 2 |
PSA: | 0.00000 |
LogP: | 2.42740 |
2,2-dimethylpropyl bromide
Conditions | Yield |
---|---|
With bromine In toluene | 89% |
1-(2,2-dimethyl-propyl)-2,4-diphenyl-5,6-dihydro-benzo[h]quinolinium; bromide
2,2-dimethylpropyl bromide
Conditions | Yield |
---|---|
at 200 - 220℃; under 0.3 - 0.8 Torr; | 87% |
2,2-dimethylpropyl bromide
Conditions | Yield |
---|---|
With bromine inert atmosphere; GLC; | 87% |
2,2-dimethylpropyl bromide
Conditions | Yield |
---|---|
With bromine In tetrachloromethane 0 deg C, 1 h, 20 deg C, 1 h, reflux, 1 h; | 82% |
2,2-dimethylpropane
A
3,3-dimethylpyrrolidine-2,5-dione
B
bromodichloromethane
C
2,2-dimethylpropyl bromide
D
3-bromo-3-methylbutanoyl isocyanate
Conditions | Yield |
---|---|
With ethene; dichloromethane; 22DMNBS; bromine at 12℃; for 30h; Irradiation; Further byproducts given. Yields of byproduct given; | A 67.7% B 32.3% C 45.2% D n/a |
Conditions | Yield |
---|---|
With hydrogen bromide; Aliquat 336 In chlorobenzene at 85℃; | 30% |
With quinoline; phosphorus tribromide | |
With pyridine; hydrogen fluoride; ammonium bromide |
2-(2,2-Dimethyl-propoxy)-1,3-diphenyl-[1,3,2]diazaphospholidine
2,2-dimethylpropyl bromide
Conditions | Yield |
---|---|
With bromine In dichloromethane at 0℃; | 30% |
Conditions | Yield |
---|---|
With nitrogen Irradiation.UV-Licht; |
Conditions | Yield |
---|---|
aus Diazomethan durch Photolyse hergestellt; |
Conditions | Yield |
---|---|
With N-Bromosuccinimide at 15℃; Irradiation; competitive brominaton reactions with CH2Cl2; further brominating system (NBS-DCE; NBS-Br2); | |
With bromine at 50℃; Product distribution; competitive brominaton reaction with CH2Cl2; relative reactivities per hydrogen have been determined; | |
With N-Bromosuccinimide at 15℃; Irradiation; competition reaction with tert-butyl chloride and 2,2-dichloropropane; relative rate constants for mediated brominations; additives - Br2, BrCCl3, CH2CCl2; |
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The CAS register number of 1-Bromo-2,2-dimethylpropane is 630-17-1. It also can be called as propane, 1-Bromo-2,2-dimethyl- and the IUPAC name about this chemical is 1-bromo-2,2-dimethylpropane. The molecular formula about this chemical is C5H11Br and molecular weight is 151.04.
Physical properties about 1-Bromo-2,2-dimethylpropane are: (1)ACD/LogP: 2.91; (2)ACD/LogD (pH 5.5): 2.91; (3)ACD/LogD (pH 7.4): 2.91; (4)ACD/BCF (pH 5.5): 95.46; (5)ACD/BCF (pH 7.4): 95.46; (6)ACD/KOC (pH 5.5): 909.43; (7)ACD/KOC (pH 7.4): 909.43; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.442; (10)Molar Refractivity: 32.91 cm3; (11)Molar Volume: 124.2 cm3; (12)Polarizability: 13.04x10-24cm3; (13)Surface Tension: 25.1 dyne/cm; (14)Enthalpy of Vaporization: 33.23 kJ/mol; (15)Boiling Point: 107.9 °C at 760 mmHg; (16)Vapour Pressure: 31 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,2-dimethyl-propan-1-ol. This reaction will need reagent NH4Br, HF, Py.
Uses of 1-Bromo-2,2-dimethylpropane: it can be used to produce Neopentyl-phenyl-thioether with benzenethiol; sodium salt. This reaction will need reagent tributyl-hexadecyl-phosphonium bromide.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is highly flammable. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(C)(C)C
(2)InChI: InChI=1/C5H11Br/c1-5(2,3)4-6/h4H2,1-3H3
(3)InChIKey: CQWYAXCOVZKLHY-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C5H11Br/c1-5(2,3)4-6/h4H2,1-3H3
(5)Std. InChIKey: CQWYAXCOVZKLHY-UHFFFAOYSA-N