1,3-Benzodioxole,5-isothiocyanato-

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Catalog Number

ACM113504931

Product Name

Structure

CAS

113504-93-1

Category

Heterocyclic Organic Compound

Synonyms

5-Isothiocyanato-1,3-benzodioxole, ZINC00158543, BB_SC-1834, 3,4-Methylenedioxyphenyl isothiocyanate, ALBB-003060, CID123593, STK501677, 113504-93-1

IUPAC Name

5-isothiocyanato-1,3-benzodioxole

Molecular Weight

179.1958

Molecular Formula

C8H5NO2S

Canonical SMILES

C1OC2=C(O1)C=C(C=C2)N=C=S

InChI Key

UVVSPZKAEJHDCY-UHFFFAOYSA-N

Boiling Point

311.2ºC at 760 mmHg

Melting Point

57ºC

Flash Point

142ºC

Density

1.37 g/cm³

Exact Mass

179.00400

Hazard Statements

T: Toxic;Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

Safety Description

26-36/37/39

MSDS

COA

Spec Sheet

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