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507-19-7

Basic Information
CAS No.: 507-19-7
Name: 2-Bromo-2-methylpropane
Article Data: 110
Molecular Structure:
Molecular Structure of 507-19-7 (2-Bromo-2-methylpropane)
Formula: C4H9Br
Molecular Weight: 137.019
Synonyms: 1,1-Dimethylethylbromide;2-Bromo-2-methylpropane;2-Bromoisobutane;2-Methyl-2-bromopropane;Bromotrimethylmethane;NSC 8418;Trimethylbromomethane;
EINECS: 208-065-9
Density: 1.271 g/cm3
Melting Point: -20 °C
Boiling Point: 73.2 °C at 760 mmHg
Flash Point: 18.3 °C
Solubility: insoluble
Appearance: clear colourless to yellow-brown liquid
Hazard Symbols: FlammableF,IrritantXi
Risk Codes: 11-36/37/38
Safety: 16-33-37/39-26
Transport Information: UN 2342 3/PG 2
PSA: 0.00000
LogP: 2.17980
Synthetic route
507-20-0

tertiary butyl chloride

507-19-7

t-butyl bromide

Conditions
ConditionsYield
With hydrogen bromide; ferric(III) bromide In dichloromethane at 25℃; for 0.2h;98%
With boron tribromide for 2h;80%
With pyridine; tributyltin bromide at 100℃; Thermodynamic data; Equilibrium constant; Δ G;
With aluminum tri-bromide In various solvent(s) at -30℃;
With aluminium trichloride; hydrogen bromide
558-17-8

tert-Butyl iodide

507-19-7

t-butyl bromide

Conditions
ConditionsYield
With bismuth(III) bromide In dichloromethane at 25℃; for 1.75h;98%
78-86-4, 53178-20-4

s-butyl chloride

A

507-19-7

t-butyl bromide

B

78-76-2, 5787-31-5

s-butyl bromide

Conditions
ConditionsYield
With hydrogen bromide; ferric(III) bromide In dichloromethane at 25℃; for 15h;A 3%
B 97%
75-65-0

tert-butyl alcohol

507-19-7

t-butyl bromide

Conditions
ConditionsYield
With Silphos; bromine In acetonitrile for 0.583333h; Heating;90%
With hydrogen bromide; lithium bromide at 0℃; for 2h;87%
With allyltriphenoxyphosphonium bromide at 20℃;62%
75-28-5

Isobutane

507-19-7

t-butyl bromide

Conditions
ConditionsYield
With antimony pentafluoride; 1,2-dibromomethane 1.) -78 deg C, 2 h, 2.) RT, 24 h;75%
With bromine
With bromine
With bromine
67-56-1

methanol

5-t-Butylperoxycyclo-octene

A

507-19-7

t-butyl bromide

32654-19-6, 89071-84-1, 92617-21-5

trans-2-bromo-9-oxabicyclo<4.2.1>nonane

32654-27-6, 89071-85-2, 92617-22-6

trans-2-bromo-9-oxabicyclo<3.3.1>nonane

D

77-76-9

2,2-dimethoxy-propane

Conditions
ConditionsYield
With N-Bromosuccinimide for 0.75h; Product distribution; Mechanism; further in CD3OD;A 1.5%
B n/a
C n/a
D 74%
1634-04-4

tert-butyl methyl ether

201230-82-2

carbon monoxide

100-39-0

benzyl bromide

A

74-83-9

methyl bromide

B

507-19-7

t-butyl bromide

C

101-41-7

benzeneacetic acid methyl ester

Conditions
ConditionsYield
1,5-hexadienerhodium(I)-chloride dimer; potassium iodide at 75 - 90℃; under 735.5 Torr; overnight or in n-heptane;A n/a
B n/a
C 68%
617-86-7

triethylsilane

5193-96-4

methyl methoxybromoacetate

A

72719-00-7

dimethyl 2,3-dimethoxybutanedioate

B

507-19-7

t-butyl bromide

C

1112-48-7

triethyl-bromo-silane

D

75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With di-tert-butyl peroxide In chlorobenzene at 30℃; for 0.1h; Product distribution; Irradiation;A 7%
B 6%
C 40%
D 19.5%
109-69-3

n-Butyl chloride

A

109-65-9

1-bromo-butane

B

507-19-7

t-butyl bromide

C

78-76-2, 5787-31-5

s-butyl bromide

Conditions
ConditionsYield
With hydrogen bromide; ferric(III) bromide In dichloromethane at 25℃; for 15h;A 5%
B 3%
C 13%
78-77-3

Isobutyl bromide

507-19-7

t-butyl bromide

Conditions
ConditionsYield
With pumice stone; thorium tetrachloride
With pumice stone; barium(II) chloride
at 210 - 220℃; im Rohr;
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Consensus Reports

EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

The CAS registry number of 2-Bromo-2-methylpropane is 507-19-7. With the EINECS registry number 208-065-9, its IUPAC name is 2-bromo-2-methylpropane. In addition, the molecular formula is C4H9Br. What's more, it is a kind of clear colourless to yellow-brown liquid and should be stored in a cool and dry place. This organobromine compound is used as a raw material in synthetic organic chemistry. And it is isomeric with 1-bromobutane and 2-bromobutane.

Physical properties about this chemical are: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): 2.38; (3)ACD/LogD (pH 7.4): 2.38; (4)ACD/BCF (pH 5.5): 37.67; (5)ACD/BCF (pH 7.4): 37.67; (6)ACD/KOC (pH 5.5): 467.43; (7)ACD/KOC (pH 7.4): 467.43; (8)Index of Refraction: 1.437; (9)Molar Refractivity: 28.27 cm3; (10)Molar Volume: 107.7 cm3; (11)Polarizability: 11.21 ×10-24cm3; (12)Surface Tension: 23.9 dyne/cm; (13)Density: 1.271 g/cm3; (14)Flash Point: 18.3 °C; (15)Enthalpy of Vaporization: 29.33 kJ/mol; (16)Boiling Point: 73.2 °C at 760 mmHg; (17)Vapour Pressure: 126 mmHg at 25°C.

Preparation of 2-Bromo-2-methylpropane: it can be prepared by 2-chloro-2-methyl-propane. This reaction will need reagent HBr, catalyst FeBr3 and solvent CH2Cl2. The reaction time is 0.2 hour at reaction temperature of 25 °C. The yield is about 98%.

2-Bromo-2-methylpropane can be prepared by 2-chloro-2-methyl-propane

Uses of 2-Bromo-2-methylpropane: it can react with thiocyanic acid; potassium salt to get tert-butyl thiocyanate. This reaction will need reagents silica and alumina, and solvent hexane. The reaction time is 3 hours at reaction temperature of 50 °C. The yield is about 35%.

2-Bromo-2-methylpropane can react with thiocyanic acid; potassium salt to get tert-butyl thiocyanate

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. You should keep away from sources of ignition - No smoking. In addition, you should take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C)(C)C
(2)Std. InChI: InChI=1S/C4H9Br/c1-4(2,3)5/h1-3H3
(3)Std. InChIKey: RKSOPLXZQNSWAS-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4400mg/kg (4400mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 29, 1982.
rat LD50 intraperitoneal 1250mg/kg (1250mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 29, 1982.