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3-Fluorophenyl isothiocyanate Structure

3-Fluorophenyl isothiocyanate

Chemical Properties

Boiling point 227 °C(lit.)
Density  1.27 g/mL at 25 °C(lit.)
refractive index  n20/D 1.62(lit.)
Flash point 185 °F
storage temp.  0-6°C
form  clear liquid
Specific Gravity 1.270
color  Light yellow to Yellow to Orange
Sensitive  Moisture Sensitive
BRN  2081172
InChI 1S/C7H4FNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChIKey HDBACITVPQEAGG-UHFFFAOYSA-N
SMILES Fc1cccc(c1)N=C=S
CAS DataBase Reference 404-72-8(CAS DataBase Reference)
EPA Substance Registry System 3-Fluorophenyl isothiocyanate (404-72-8)

Safety Information

Hazard Codes  C,T,Xi,Xn
Risk Statements  20/21/22-34-36/37-36/37/38
Safety Statements  26-27-36/37/39-45
RIDADR  UN 3265 8/PG 2
WGK Germany  3
RTECS  NX8750000
Hazard Note  Toxic/Irritant
TSCA  TSCA listed
HazardClass  8
PackingGroup  III
HS Code  2930909899
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Corr. 1B
STOT SE 3

MSDS

Usage And Synthesis

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