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242837

Sigma-Aldrich

2-Bromohexanoic acid

97%

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Synonym(s):
2-Bromocaproic acid
Linear Formula:
CH3(CH2)3CHBrCOOH
CAS Number:
616-05-7
Molecular Weight:
195.05
Beilstein:
1721762
EC Number:
210-461-1
MDL number:
MFCD00004218
PubChem Substance ID:
24854586
NACRES:
NA.22

Quality Level

100

Assay

97%

form

liquid

refractive index

n20/D 1.472 (lit.)

bp

136-138 °C/18 mmHg (lit.)

solubility

alcohol: soluble(lit.)
diethyl ether: soluble(lit.)

density

1.37 g/mL at 25 °C (lit.)

SMILES string

CCCCC(Br)C(O)=O

InChI

1S/C6H11BrO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)

InChI key

HZTPKMIMXLTOSK-UHFFFAOYSA-N

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General description

The reaction of 2-bromohexanoic acid (2-bromocaproic acid) with 6-(5,6-dipentyl-1,2,4-triazin-3-yl)-2,2′-bipyridine and Cm(III) was studied.

Application

2-Bromohexanoic acid was used as an internal standard in the determination of trans,trans-muconic acid (t,t-MA) in urine by GC-MS method.

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H302 + H312 + H332 - H314

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible, corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Antje Bremer et al.
Dalton transactions (Cambridge, England : 2003), 41(25), 7582-7589 (2012-05-19)
The complexation of Cm(III) with 6-(5,6-dipentyl-1,2,4-triazin-3-yl)-2,2'-bipyridine (C(5)-hemi-BTP) in a water-2-propanol solution is investigated by TRLFS. Upon increasing the concentration of C(5)-hemi-BTP in the Cm(III)-solution, three different species, the 1:1-, 1:2- and 1:3-complex, with emission bands at 599.9 nm, 607.3 nm
T Ruppert et al.
Journal of chromatography. B, Biomedical applications, 666(1), 71-76 (1995-04-07)
A sensitive and specific method for the determination of trans,trans-muconic acid (t,t-MA) in urine is described. After clean-up on an anion-exchange cartridge, t,t-MA was derivatized with BF3-methanol to the dimethyl ester and analyzed by gas chromatography-mass spectrometry (GC-MS), with 2-bromohexanoic
Damien E Dobson et al.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 19(1), 56-65 (2019-12-12)
A series of Cy5.5 dye analogs and targeted probes with net charges varied from -3 to 0 were synthesized by an optimized method, followed by comparing their spectral and photostability properties in saturated solutions of air, oxygen, and argon. The

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