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About This Item
Linear Formula:
F2C6H3NCO
CAS Number:
Molecular Weight:
155.10
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
Recommended Products
Assay
97%
refractive index
n20/D 1.498 (lit.)
bp
164 °C (lit.)
density
1.326 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
Fc1ccc(cc1F)N=C=O
InChI
1S/C7H3F2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
InChI key
YBWJVFMNWMLZEN-UHFFFAOYSA-N
General description
3,4-Difluorophenyl isocyanate, also known as 1,2-difluoro-4-isocyanatobenzene, is an organic building block containing an isocyanate group.
Application
3,4-Difluorophenyl isocyanate may be used in the preparation of (±)-trans-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)-2,5-dimethylpiperazine-1-carboxamide.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
WGK
WGK 3
Flash Point(F)
145.4 °F - closed cup
Flash Point(C)
63 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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N-Arylpiperazine-1-carboxamide Derivatives: a Novel Series of Orally
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Active Nonsteroidal Androgen Receptor Antagonists.
Kinoyama I, et al.
Chemical & Pharmaceutical Bulletin, 53(4), 402-409 (2005)
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