8.18738
2-Methylphenyl isothiocyanate
for synthesis
Synonym(s):
2-Methylphenyl isothiocyanate, 3-Tolyl isothiocyanate, Isothiocyanic acid 2-methylphenyl ester
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About This Item
Linear Formula:
2(CH3)C6H4NCS
CAS Number:
Molecular Weight:
149.21
UNSPSC Code:
12352118
EC Index Number:
210-390-6
NACRES:
NA.22
MDL number:
Assay:
≥99.0% (GC)
Form:
liquid
Quality Segment
assay
≥99.0% (GC)
form
liquid
bp
238-240 °C
transition temp
flash point 108 °C
density
1.11 g/cm3 at 20 °C
storage temp.
2-30°C
SMILES string
S=C=Nc1c(cccc1)C
InChI
1S/C8H7NS/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
InChI key
JYKYYPPZLPVIBY-UHFFFAOYSA-N
Analysis Note
Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.107 - 1.111
Identity (IR): passes test
Density (d 20 °C/ 4 °C): 1.107 - 1.111
Identity (IR): passes test
signalword
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
10 - Combustible liquids
wgk
WGK 3
flash_point_f
226.4 °F - closed cup
flash_point_c
108 °C - closed cup
Certificates of Analysis (COA)
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