CAS No.110-53-2,1-Bromopentane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	110-53-2
Name:	1-Bromopentane
Article Data:	70

Formula:	C₅H₁₁Br
Molecular Weight:	151.046
Synonyms:	1-Pentyl bromide;Amyl bromide;NSC 7895;Pentyl bromide;n-Amyl bromide;n-Pentyl bromide;
EINECS:	203-776-0
Density:	1.215 g/cm³
Melting Point:	- 95 °C(lit.)
Boiling Point:	129.3 °C at 760 mmHg
Flash Point:	31.1 °C
Solubility:	practically insoluble in water
Appearance:	Colorless liquid
Hazard Symbols:	Xn,N
Risk Codes:	10-36/37/38-51/53-22
Safety:	26-36-61-37/39-29-16
Transport Information:	UN 1993 3/PG 3
PSA:	0.00000
LogP:	2.57150

Synthetic route

: 1119-51-3
bromopentene

: 110-53-2
1-Bromopentane

Conditions

Conditions	Yield
With fac-[Mn(1,2-bis(di-isopropylphosphino)ethane)(CO)3(CH2CH2CH3)]; hydrogen In diethyl ether at 25℃; under 37503.8 Torr; for 18h;	99%

: 71-41-0
pentan-1-ol

: 110-53-2
1-Bromopentane

Conditions

Conditions	Yield
With t-butyl bromide; n-pentylmethylimidazolium bromide for 2h; sonication;	82%
With sulfuric acid; hydrogen bromide at 120℃; for 10h;	78%
With allyltriphenoxyphosphonium bromide at 20℃;	47%

: 543-59-9
1-Chloropentane

: 110-53-2
1-Bromopentane

Conditions

Conditions	Yield
With bromide; <p>-(CH2)3-<sup>+</sup>PBu3</p> In water at 110℃; for 100h;	69%

: 1119-51-3
bromopentene

A: 110-53-2
1-Bromopentane

B: 109-66-0
pentane

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; titanium tetrachloride	A 26% B 41%

: 56269-05-7
propyl dipentylarsinate

: 100-39-0
benzyl bromide

A: 110-53-2
1-Bromopentane

B: C11H25AsO2

C: 75099-93-3
C12H18AsO2

D: 75099-91-1
C15H25AsO2

Conditions

Conditions	Yield
at 160℃; for 2h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;	A n/a B 17.18% C n/a D 33.92%

...Expand

: 56269-05-7
propyl dipentylarsinate

: 100-39-0
benzyl bromide

A: 110-53-2
1-Bromopentane

B: C11H25AsO2

C: 75099-91-1
C15H25AsO2

D: 75099-92-2
C19H25AsO2

Conditions

Conditions	Yield
at 160℃; for 2h; Yield given. Further byproducts given. Title compound not separated from byproducts;	A n/a B 17.18% C 33.92% D n/a
at 160℃; for 2h; Further byproducts given. Yields of byproduct given;	A n/a B 17.18% C 33.92% D n/a
at 160℃; for 2h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;	A n/a B 17.18% C 33.92% D n/a

...Expand

: 628-17-1
amyl iodide

A: 110-53-2
1-Bromopentane

B: 66688-47-9
2,4-difluoropentane

Conditions

Conditions	Yield
With N-Bromosuccinimide; hydrogen fluoride at -15 - 0℃; for 4h;	A n/a B 17%

: 512-85-6
ascaridole

: 110-53-2
1-Bromopentane

Conditions

Conditions	Yield
ohne Loesungsmittel;
With pentane

: 628-80-8
1-methoxypentane

: 110-53-2
1-Bromopentane

Conditions

Conditions	Yield
With hydrogen bromide at 80 - 100℃;
With hydrogen bromide

: 109-67-1
1-penten

: 110-53-2
1-Bromopentane

Conditions

Conditions	Yield
With hydrogen bromide; acetic acid at 0℃;
With hexane; hydrogen bromide at -10℃;

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The IUPAC name of N-Amyl bromide is 1-bromopentane. With the CAS registry number 110-53-2, it is also named as 1-Pentyl bromide. The product's categories are organics; alkyl bromide; alkyl bromides; monofunctional & alpha,omega-bifunctional alkanes; monofunctional alkanes; bromine chemicals. It is colorless liquid which is insoluble in water, soluble in alcohol, and mixed with ether in any ratio. In addition, it is stable, flammable and incompatible with strong oxidizing agents, strong bases. People should store this chemical in a tightly closed container which should be stored in a cool, dry, well-ventilated area away from incompatible substances. N-Amyl bromide can be obtained by the reaction of amyl alcohol and hydrogen bromide.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.27; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 181.07; (6)ACD/BCF (pH 7.4): 181.07; (7)ACD/KOC (pH 5.5): 1438.03; (8)ACD/KOC (pH 7.4): 1438.03; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.443; (13)Molar Refractivity: 32.94 cm³; (14)Molar Volume: 124.2 cm³; (15)Polarizability: 13.06×10^-24 cm³; (16)Surface Tension: 26.9 dyne/cm; (17)Enthalpy of Vaporization: 35.18 kJ/mol; (18)Vapour Pressure: 12.5 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 150.004413; (21)MonoIsotopic Mass: 150.004413; (22)Heavy Atom Count: 6.

Uses of N-Amyl bromide: It is used as intermediates of organic synthesis and solvent. And it is also used to synthesize drugs, dyes and spices. In addition, it reacts with acetic acid; sodium salt to get1-acetoxy-pentane. This reaction needs catalytic agent -(CH2)3-+PBu3 and solvent H2O at temperature of 110 °C. The reaction time is 8 hours. The yield is 70%.

When you are using this chemical, please be cautious about it as the following:
It is flammable, so people should keep it away from sources of ignition. And it is harmful if swallowed and is irritating to eyes, respiratory system and skin. Furthermore, chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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 protective clothing, gloves and eye/face protection. Avoid releasing to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
1. SMILES: BrCCCCC;
2. InChI: InChI=1/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3.

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	26800mg/m³ (26800mg/m³)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(4), Pg. 55, 1974.
mouse	LD50	intraperitoneal	1250mg/kg (1250mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(12), Pg. 52, 1976.