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8.07028

Phenyl isothiocyanate

for synthesis

Synonym(s):

Phenyl isothiocyanate, Isothiocyanic acid phenyl ester, PTC

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About This Item

Empirical Formula (Hill Notation):
C7H5NS
CAS Number:
103-72-0
Molecular Weight:
135.19
UNSPSC Code:
12352118
EC Index Number:
203-138-1
NACRES:
NA.22
MDL number:
MFCD00004798
Assay:
≥98.0% (GC)
Form:
liquid
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vapor pressure

10 hPa ( 20 °C)

Quality Level

200

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

SMILES string

S=C=Nc1ccccc1

InChI

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

InChI key

QKFJKGMPGYROCL-UHFFFAOYSA-N

Analysis Note

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

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Danger

Hazard Classifications

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

wgk

WGK 3

flash_point_f

190.4 °F - closed cup

flash_point_c

88 °C - closed cup

Storage Class

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

Certificates of Analysis (COA)

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