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219193

3-Thiopheneacetonitrile

96%

Synonym(s):

3-Thienylacetonitrile

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About This Item

Empirical Formula (Hill Notation):
C6H5NS
CAS Number:
13781-53-8
Molecular Weight:
123.18
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24853111
EC Number:
237-433-1
Beilstein/REAXYS Number:
107774
MDL number:
MFCD00005471
Assay:
96%
Form:
liquid
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assay

96%

form

liquid

refractive index

n20/D 1.545 (lit.)

bp

124-125 °C/16 mmHg (lit.)

density

1.08 g/mL at 25 °C (lit.)

SMILES string

N#CCc1ccsc1

InChI

1S/C6H5NS/c7-3-1-6-2-4-8-5-6/h2,4-5H,1H2

InChI key

GWZCLMWEJWPFFA-UHFFFAOYSA-N

Application

3-Thiopheneacetonitrile was used in the synthesis of:
  • (E)-3-phenyl-2-(3-thienyl) acrylonitrile
  • (Z)-3-(4-methylphenyl)-2-(3-thienyl) acrylonitrile

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point (°F)

246.2 °F - closed cup

Flash Point (°C)

119 °C - closed cup

PPE (personal protective equipment)

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

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