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Merck
CN

59890

Sigma-Aldrich

Isovaleryl chloride

purum, ≥98.0% (AT)

Synonym(s):

3-Methylbutyryl chloride

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About This Item

Linear Formula:
(CH3)2CHCH2COCl
CAS Number:
Molecular Weight:
120.58
Beilstein:
741910
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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grade

purum

Assay

≥98.0% (AT)

refractive index

n20/D 1.416 (lit.)
n20/D 1.416

bp

115-117 °C (lit.)

density

0.982 g/mL at 20 °C
0.989 g/mL at 25 °C (lit.)

SMILES string

CC(C)CC(Cl)=O

InChI

1S/C5H9ClO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3

InChI key

ISULZYQDGYXDFW-UHFFFAOYSA-N

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Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 3 Inhalation - Flam. Liq. 3 - Skin Corr. 1B

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

87.8 °F - closed cup

Flash Point(C)

31 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

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Jessica L Wojtaszek et al.
Cell, 178(1), 152-159 (2019-06-11)
Intrinsic and acquired drug resistance and induction of secondary malignancies limit successful chemotherapy. Because mutagenic translesion synthesis (TLS) contributes to chemoresistance as well as treatment-induced mutations, targeting TLS is an attractive avenue for improving chemotherapeutics. However, development of small molecules with
Seon-Mi Seo et al.
Pesticide biochemistry and physiology, 113, 55-61 (2014-07-24)
This study investigated the fumigant toxicity of 4 Asteraceae plant essential oils and their constituents against the Japanese termite Reticulitermes speratus Kolbe. Fumigant toxicity varied with plant essential oils or constituents, exposure time, and concentration. Among the tested essential oils

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