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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
Beilstein:
506293
EC Number:
211-330-1
MDL number:
MFCD00000757
UNSPSC Code:
12352100
PubChem Substance ID:
24849658
NACRES:
NA.22

Key Documents

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Quality Level

100

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

SMILES string

CCCCC(Cl)=O

InChI

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

InChI key

XGISHOFUAFNYQF-UHFFFAOYSA-N

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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.

Signal Word

Danger

Hazard Statements

H226,H290,H314,H331,H412

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

89.6 °F - closed cup

Flash Point(C)

32 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCH5421
BCCH2061
BCCG1354
BCCB2843
BCBV1309

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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
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
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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