Hexyl isothiocyanate

CAS
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Purity
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CAS
4404-45-9
Size
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Purity
96%
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Catalog Number

ACM4404459

Product Name

Hexyl isothiocyanate

Structure

CAS

4404-45-9

Category

Heterocyclic Organic Compound

Synonyms

Hexyl isothiocyanate, Hexane, 1-isothiocyanato-, 1-Isothiocyanatohexane, n-Hexyl isothiocyanate, 1-Hexyl isothiocyanate, Isothiocyanic acid, hexyl ester, 475912_ALDRICH, CCRIS 7549, EINECS 224-549-2, ZINC02146665, TL 04666, 4404-45-9

IUPAC Name

1-isothiocyanatohexane

Molecular Weight

143.25

Molecular Formula

C₇H₁₃NS

Canonical SMILES

CCCCCCN=C=S

InChI Key

WXYAXKKXIGHXDS-UHFFFAOYSA-N

Boiling Point

108-110ºC (15 torr)

Flash Point

90ºC

Density

0.933 g/mL at 25 °C(lit.)

Appearance

colorless liquid

EC Number

224-549-2

Exact Mass

143.07700

Hazard Statements

Xn:Harmful;

H-Bond Acceptor

H-Bond Donor

Packing Group

III

Safety Description

S26-S36/37/39

WGK Germany

MSDS

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COA

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Spec Sheet

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