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B78106

Sigma-Aldrich

1-Bromopropane

99%

Synonym(s):

Propyl bromide

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About This Item

Linear Formula:
CH3CH2CH2Br
CAS Number:
106-94-5
Molecular Weight:
122.99
Beilstein:
505936
EC Number:
203-445-0
MDL number:
MFCD00000254
UNSPSC Code:
12352100
PubChem Substance ID:
24892019
NACRES:
NA.22

vapor density

4.3 (vs air)

vapor pressure

146 mmHg ( 20 °C)

Assay

99%

form

liquid

autoignition temp.

914 °F

refractive index

n20/D 1.434 (lit.)

bp

71 °C (lit.)

mp

−110 °C (lit.)

density

1.354 g/mL at 25 °C (lit.)

SMILES string

CCCBr

InChI

1S/C3H7Br/c1-2-3-4/h2-3H2,1H3

InChI key

CYNYIHKIEHGYOZ-UHFFFAOYSA-N

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Application

1-Bromopropane is used as a component of various models of binary mixtures, prepared to study their properties such as viscosity and refractive index.
It can be used as an alkylating reagent:
  • For the functionalization of seleno-substituted imidazo[1,2-α]pyridine derivatives.
  • For the synthesis of 1,4-dihydroxy-2-propoxy anthraquinone derivatives.

It can also be used as a reactant:
  • For the synthesis of Berberine-benzimidazole derivatives.
  • For the synthesis of alkyl aryl ketones via carbonylative Barbier-Negishi coupling with aryl iodides.

accessory

Product No.
Description
Pricing

Signal Word

Danger

Hazard Classifications

Aquatic Chronic 3 - Carc. 2 - Eye Irrit. 2 - Flam. Liq. 3 - Ozone 1 - Repr. 1B - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3

Target Organs

Central nervous system, Liver,Central nervous system, Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

76.1 °F - closed cup

Flash Point(C)

24.5 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Synthesis and crystal structures of two purpurin derivatives: 1, 4-dihydroxy-2-propoxyanthraquinone and 2-butoxy-1, 4-dihydroxyanthraquinone.
Bosch E and McClain EN
Acta Crystallographica Section E: Crystallographic Communications, 73(11), 1687-1691 (2017)
Zhenlie Huang et al.
Toxicology and applied pharmacology, 257(1), 93-101 (2011-09-20)
1-Bromopropane (1-BP) is a compound used as an alternative to ozone-depleting solvents and is neurotoxic both in experimental animals and human. However, the molecular mechanisms of the neurotoxic effects of 1-BP are not well known. To identify the molecular mechanisms
Kaviarasan Subramanian et al.
Toxicology, 302(1), 18-24 (2012-07-25)
1-Bromopropane (1-BP), an alternative to ozone-depleting solvents, is reported to exhibit neurotoxicity and reproductive toxicity in animals and humans. However, the underlying mechanism of the toxicity remains elusive. This study was designed to identify the microglial changes and oxidative stress
Palladium-Catalyzed Carbonylative Coupling of Aryl Iodides with Alkyl Bromides: Efficient Synthesis of Alkyl Aryl Ketones.
Peng JB, et al.
advanced synthesis and catalysis, 360(21), 4153-4160 (2018)
Design, synthesis and biological evaluation of berberine-benzimidazole hybrids as new type of potentially DNA-targeting antimicrobial agents.
Jeyakkumar P, et al.
European Journal of Medicinal Chemistry, 122(11), 205-215 (2016)
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