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Merck
CN

157147

Valeroyl chloride

98%

Synonym(s):

Pentanoic acid chloride, n-Butanecarbonyl chloride, n-Pentanoyl chloride, n-Valeryl chloride

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About This Item

Linear Formula:
CH3(CH2)3COCl
CAS Number:
638-29-9
Molecular Weight:
120.58
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24849658
EC Number:
211-330-1
Beilstein/REAXYS Number:
506293
MDL number:
MFCD00000757

Key Documents

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Product Name

Valeroyl chloride, 98%

InChI key

XGISHOFUAFNYQF-UHFFFAOYSA-N

InChI

1S/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3

SMILES string

CCCCC(Cl)=O

assay

98%

form

liquid

refractive index

n20/D 1.42 (lit.)

bp

125-127 °C (lit.)

density

1.016 g/mL at 25 °C (lit.)

functional group

acyl chloride

Quality Level

100

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Application

Valeroyl chloride was used in the enantioselective synthesis of propylisopropyl acetamide (PID), an amide analog of the major antiepileptic drug valproic acid. It was also used in the synthesis of (4R, 5S-4-methyl-3-(1-oxopentyl)-5-phenyl-oxazolidinone.

flash_point_f

89.6 °F - closed cup

signalword

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Aquatic Chronic 3 - Eye Dam. 1 - Flam. Liq. 3 - Met. Corr. 1 - Skin Corr. 1A

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_c

32 °C - closed cup

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCP1022
BCCH5421
BCCH2061
BCCG1354
BCCB2843

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R S Hauck et al.
Pharmaceutical research, 9(7), 850-855 (1992-07-01)
The teratogenic activities of R(+)- and S(-)-2-n-propyl-4-pentynoic acid (R and S-4-yn-VPA), the enantiomers of the highly teratogenic valproic acid (VPA) analogues (+/-)-4-yn-VPA, were investigated in mice. The enantiomers were prepared via asymmetric synthesis, each in three steps employing the chiral
O Spiegelstein et al.
Chirality, 11(8), 645-650 (1999-09-01)
Propylisopropyl acetamide (PID), an amide analogue of the major antiepileptic drug valproic acid (VPA), possesses favorable anticonvulsant and CNS properties. PID contains one chiral carbon atom and therefore exists in two enantiomeric forms. The purpose of this work was to
Janclei P Coutinho et al.
Talanta, 134, 256-263 (2015-01-27)
In this work a multivariate statistical tool (Derringer and Suich optimization) was proposed for the separation of seventeen capsinoids (natural and synthetic) using the UHPLC-DAD chromatography. Capsinoids were analyzed at 280 nm. The variables optimized were the mobile phase (water

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