CAS No.78-77-3,1-Bromo-2-methylpropane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	78-77-3
Name:	1-Bromo-2-methylpropane
Article Data:	70

Formula:	C₄H₉Br
Molecular Weight:	137.019
Synonyms:	1-bromo-2-methyl-propane;Propane,1-bromo-2-methyl-;1-bromo-isobutane;Propane, 1-bromo-2-methyl-;Bromoisobutane;iso-Butyl bromide;Trimethyl bromomethane;1-bromo-2-methyl propane;iso-Butylbromide;Turmeric Colour;1-bromo-2-methyl propane 99%;
EINECS:	201-141-2
Density:	1.26 g/cm³
Melting Point:	-119 °C
Boiling Point:	90.7 °C at 760 mmHg
Flash Point:	18.3 °C
Solubility:	0.51 g/L (18 °C) in water
Appearance:	clear liquid
Hazard Symbols:	F,Xi
Risk Codes:	11-37-36/37/38
Safety:	16-23-37/39-26
Transport Information:	UN 2342 3/PG 2
PSA:	0.00000
LogP:	2.03730

Synthetic route

: 29015-35-8, 651309-67-0
(i-C4H9)3SbBr2

A: 78-77-3
Isobutyl bromide

B: 251318-70-4
(isobutyl)2SbBr

Conditions

Conditions	Yield
heating at 220°C for 4 h; fractional distn. at 64-66°C at 0.1 Torr;	A n/a B 81%
heating at 220°C for 4 h; fractional distn. at 64-66°C at 0.1 Torr;	A n/a B 81%

: 78-83-1
2-methyl-propan-1-ol

: 78-77-3
Isobutyl bromide

Conditions

Conditions	Yield
With sulfuric acid; hydrogen bromide In water at 90 - 95℃;	42.9%
With phosphorus; bromine
With sulfuric acid; water; potassium bromide

: 161616-29-1
2-Isobutoxy-4-methyl-[1,3,2]dioxaborinane

A: 78-77-3
Isobutyl bromide

B: 107-80-2
1,3-dibromobutane

Conditions

Conditions	Yield
With aluminum tri-bromide In diethyl ether	A n/a B 41%

: 95093-86-0
2-isobutyl-4-methyl-1,3,2-dioxaborinane

A: 78-77-3
Isobutyl bromide

B: 107-80-2
1,3-dibromobutane

Conditions

Conditions	Yield
With aluminum tri-bromide In diethyl ether	A n/a B 25%

: 110-86-1
pyridine

: 507-19-7
t-butyl bromide

: 78-77-3
Isobutyl bromide

: 506-68-3
bromocyane

: 1741-85-1
1-isobutylsulfanyl-butane

A: 109-65-9
1-bromo-butane

B: 78-77-3
Isobutyl bromide

C: 591-84-4
isobutyl thiocyanate

Conditions

Conditions	Yield
at 70℃; im Rohr;

...Expand

: 118725-89-6
dibromophosphoric acid isobutyl ester

: 78-83-1
2-methyl-propan-1-ol

: 78-77-3
Isobutyl bromide

Conditions

Conditions	Yield
at 17℃;

: 108899-28-1
bromophosphoric acid diisobutyl ester

: 78-77-3
Isobutyl bromide

Conditions

Conditions	Yield
at 100℃;

: 78-83-1
2-methyl-propan-1-ol

A: 78-77-3
Isobutyl bromide

B: 594-34-3
1,2-dibromo-2-methyl-propane

Conditions

Conditions	Yield
With naphthalene; bromine

: 507-19-7
t-butyl bromide

: 78-77-3
Isobutyl bromide

Conditions

Conditions	Yield
at 210 - 220℃;
at 205 - 240℃; Geschwindigkeit;
at 210 - 220℃; im Rohr;
Gleichgewicht des Systems Isobutylbromid-tert.-Butylbromid liegt bei ca. 76prozent tert.-Bromid;

Raw Materials

75-28-5

106-97-8

513-38-2

115-11-7

7789-69-7

507-19-7

17071-47-5

109-65-9

Downstream Products

24470-76-6

186521-85-7

507-19-7

542-56-3

123-51-3

2050-07-9

170969-86-5

108-86-1

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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 IUPAC name of this chemical is 1-bromo-2-methylpropane. With the CAS registry number 78-77-3, it is also named as Bromoisobutane; iso-Butyl bromide. The product's categories are organics and alkyl bromide. It is clear liquid which is slightly soluble in water, and miscible with ethanol, ether and other organic solvents. In addition, it is flammable by fire, heat and oxidants. When heated to decomposition it emits toxic fumes of Br-. The storage environment should be ventilate, low-temperature and dry. Keep it separate from oxidant and acid.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 51.78; (6)ACD/BCF (pH 7.4): 51.78; (7)ACD/KOC (pH 5.5): 587; (8)ACD/KOC (pH 7.4): 587; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.436; (13)Molar Refractivity: 28.27 cm³; (14)Molar Volume: 108.1 cm³; (15)Polarizability: 11.2×10^-24 cm³; (16)Surface Tension: 24.6 dyne/cm; (17)Enthalpy of Vaporization: 31.33 kJ/mol; (18)Vapour Pressure: 62.9 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 135.988763; (21)MonoIsotopic Mass: 135.988763; (22)Heavy Atom Count: 5.

Preparation of 1-Bromo-2-methylpropane: It can be obtained by 2-isobutoxy-4-methyl-[1,3,2]dioxaborinane with anhyd. AlBr₃ in solvent diethyl ether. The yield is 41% and this reaction can get another product 1,3-dibromo-butane.

Uses of 1-Bromo-2-methylpropane: It is used as solvent, organic synthesis and pharmaceutical intermediate. It can react with piperazine to get 1-isobutyl-piperazine. This reaction needs reagent toluene at temperature of 90 °C.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so keep it away from sources of ignition.. And it is irritating to eyes, respiratory system and skin, so people should not breathe vapour. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES: BrCC(C)C;
2. InChI: InChI=1/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3.

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mammal (species unspecified)	LC50	inhalation	50500mg/m³ (50500mg/m³)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(4), Pg. 55, 1974.
mouse	LD50	intraperitoneal	1660mg/kg (1660mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(12), Pg. 52, 1976.