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8.07028

Sigma-Aldrich

Phenyl isothiocyanate

for synthesis

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Synonym(s):
Phenyl isothiocyanate, Isothiocyanic acid phenyl ester, PTC
Empirical Formula (Hill Notation):
C7H5NS
CAS Number:
Molecular Weight:
135.19
MDL number:
EC Index Number:
203-138-1

vapor pressure

10 hPa ( 20 °C)

Quality Level

assay

≥98.0% (GC)

form

liquid

potency

157 mg/kg LD50, oral (Rat)

bp

221 °C/1013 hPa

mp

-21 °C

transition temp

flash point 87 °C

density

1.13 g/cm3 at 20 °C

storage temp.

2-30°C

InChI

1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H

InChI key

QKFJKGMPGYROCL-UHFFFAOYSA-N

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1 of 4

This Item
8.187388.210018.02353
vibrant-m

8.07028

Phenyl isothiocyanate

vibrant-m

8.18738

2-Methylphenyl isothiocyanate

vibrant-m

8.21001

Phenyl isocyanate

vibrant-m

8.02353

Phenyl chloroformate

assay

≥98.0% (GC)

assay

≥99.0% (GC)

assay

-

assay

≥98.0% (GC)

storage temp.

2-30°C

storage temp.

2-30°C

storage temp.

2-30°C

storage temp.

15-25°C

density

1.13 g/cm3 at 20 °C

density

1.11 g/cm3 at 20 °C

density

1.10 g/cm3 at 20 °C

density

1.24 g/cm3 at 20 °C

mp

-21 °C

mp

-

mp

-33 °C

mp

-28 °C

bp

221 °C/1013 hPa

bp

238-240 °C

bp

165 °C/1013 hPa

bp

188-189 °C/1013 hPa

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.132 - 1.135
Identity (IR): passes test

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1

Storage Class

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

wgk_germany

WGK 3

flash_point_f

190.4 °F - closed cup

flash_point_c

88 °C - closed cup


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