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1-Bromo-2-ethylbutane

1-Bromo-2-ethylbutane structure

CAS No:
3814-34-4
Formula:
C6H13Br
Chemical Name:
1-Bromo-2-ethylbutane
Synonyms:
Pentane,3-(bromomethyl)-;3-(Bromomethyl)pentane;Butane,1-bromo-2-ethyl-;2-Ethylbutyl bromide;2-Ethyl-1-bromobutane;1-Bromo-2-ethylbutane
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

clear colorless to light yellow liquid

1-Bromo-2-ethylbutane Basic Attributes

Molecular Weight：

165.07

Exact Mass：

165.07

EC Number：

223-302-6

DSSTox ID：

DTXSID8063200

HScode：

2903399090

Characteristics

PSA：

XLogP3：

3.62

Appearance：

Clear colorless to light yellow Liquid

Density：

1.2±0.1 g/cm3

Melting Point：

-44.22°C (estimate)

Boiling Point：

143-144 °C @ Press: 762 Torr

Flash Point：

35 °C

Refractive Index：

1.445

Storage Conditions：

Refrigerator (+4°C) + Flammables area

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993

wgk germany：

hazard class code：

36/37/38-10

safety instructions：

37/39-26-16-33-29

Marks：

Xi,F

Stability/Shelf Life：

Stable at normal temperatures in tightly closed containers under an inert atmosphere.

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 51 companies from 5 notifications to the ECHA C&L Inventory.

1-Bromo-2-ethylbutane Use and Manufacturing

Uses

Reactant involved in the synthesis of biologically active molecules including:• ;Nantenine analogs with aporphinoid 5-HT2A and α-1A antagonistic activity1• ;Aporphines with cytotoxicity toward human colon cancer cell lines2• ;Dimeric amide foldamers acting as alpha-helix mimetics3• ;Endocrine-disrupting nanylphenol isomers synthesized via demethylation4• ;Phosphonic acid-containing benzimidazoles for use as fructose-1,6-biphosphatase inhibitors5• ;5-Bromo-1H-indole-3-acetohydroxamic acid for use as peptide deformylase inhibitors6Reactant involved in studies

Manufacturing Info：

Pentane, 3-(bromomethyl)-: ACTIVE

Computed Properties

Molecular Weight:165.07
XLogP3:3
Rotatable Bond Count:3
Exact Mass:164.02006
Monoisotopic Mass:164.02006
Heavy Atom Count:7
Complexity:31.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes