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Merck
CN

559768

4-Methyl-3-(trifluoromethyl)phenyl isothiocyanate

98%

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About This Item

Linear Formula:
C6H3CH3CF3NCS
CAS Number:
351003-67-3
Molecular Weight:
217.21
UNSPSC Code:
12352100
PubChem Substance ID:
24879641
MDL number:
MFCD03427211
Assay:
98%

Key Documents

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InChI

1S/C9H6F3NS/c1-6-2-3-7(13-5-14)4-8(6)9(10,11)12/h2-4H,1H3

SMILES string

Cc1ccc(cc1C(F)(F)F)N=C=S

InChI key

VMHJLSOAWHGDMT-UHFFFAOYSA-N

assay

98%

refractive index

n20/D 1.5635 (lit.)

bp

208 °C (lit.)

density

1.291 g/mL at 25 °C (lit.)

storage temp.

2-8°C

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

135.0 °F - closed cup

flash_point_c

57.2 °C - closed cup

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
04916PO

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