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Key Documents

8.18739

Sigma-Aldrich

3-Methylphenyl isothiocyanate

for synthesis

Synonym(s):

3-Methylphenyl isothiocyanate, 3-Tolyl isothiocyanate, Isothiocyanic acid 3-methylphenyl ester

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About This Item

Linear Formula:
3-(CH3)C6H4NCS
CAS Number:
621-30-7
Molecular Weight:
149.21
MDL number:
MFCD00004807
UNSPSC Code:
12352118
EC Index Number:
210-677-6

Quality Level

200

Assay

≥99.0% (GC)

form

liquid

bp

243 °C/1013 hPa

transition temp

flash point 106 °C

density

1.10 g/cm3 at 20 °C

storage temp.

2-30°C

InChI

1S/C8H7NS/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3

InChI key

BDPQUWSFKCFOST-UHFFFAOYSA-N

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.098 - 1.102
Identity (IR): passes test

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

222.8 °F - closed cup

Flash Point(C)

106 °C - closed cup

Certificates of Analysis (COA)

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