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Merck

B78106

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24892019
EC Number:
203-445-0
Beilstein/REAXYS Number:
505936
MDL number:
MFCD00000254

Key Documents

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Product Name

1-Bromopropane, 99%

InChI

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

InChI key

CYNYIHKIEHGYOZ-UHFFFAOYSA-N

SMILES string

CCCBr

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.)

Quality Level

200

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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.

signalword

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

3 - Flammable liquids

wgk

WGK 2

flash_point_f

76.1 °F - closed cup

flash_point_c

24.5 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ5775
MKCW7265
MKCX4519
MKCW7262
MKCS7399

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Rodney T Chen et al.
The journal of physical chemistry. B, 115(20), 6495-6502 (2011-05-06)
We describe a new method to characterize the underside (substrate interface) of plasma polymer (PP) thin films via their simple delamination from a sodium chloride single crystal substrate. By depositing the PP film onto an ionic bonded surface such as
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)
Refractive index of binary liquid mixture of 1-bromopropane and 1,3, 5-trimethylbenzene.
Optical constant, 680-680 (2017)
Weihua Li et al.
Journal of occupational and environmental medicine, 52(8), 769-777 (2010-07-27)
To investigate the health effects of 1-bromopropane (1-BP) and its dose-dependency in 1-BP production factories in China. Data of 60 female and 26 male workers in three 1-BP factories and the same number of age-, sex-, and region-matched controls were
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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