459-05-2

Name 1-(4-FLUOROPHENYL)-2-THIOUREA
CAS 459-05-2
EINECS(EC#) 625-867-8
Molecular Formula C7H7FN2S
MDL Number MFCD00041180
Molecular Weight 170.21
MOL File 459-05-2.mol
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Chemical Properties

Appearance white to off-white crystalline powder
Melting point  163-167 °C(lit.)
Boiling point  264.2±42.0 °C(Predicted)
density  1.397±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  soluble in Methanol
form  powder to crystal
pka 13.04±0.70(Predicted)
color  White to Almost white
BRN  2803645
InChI 1S/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey BRWKXKNZRVALNZ-UHFFFAOYSA-N
SMILES NC(=S)Nc1ccc(F)cc1
CAS DataBase Reference 459-05-2(CAS DataBase Reference)

Safety Data

Hazard Codes  T,Xi
Risk Statements 
R25:Toxic if swallowed.
R36:Irritating to the eyes.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  YU1400000
Hazard Note  Toxic
HazardClass  6.1
PackingGroup  II
HS Code  29309090
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Eye Irrit. 2

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