458-05-9

Name 1-(3-FLUOROPHENYL)-2-THIOUREA
CAS 458-05-9
Molecular Formula C7H7FN2S
MDL Number MFCD00041167
Molecular Weight 170.21
MOL File 458-05-9.mol
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Chemical Properties

Appearance almost white fine crystalline powder
Melting point  114-117 °C (lit.)
Boiling point  259.3±42.0 °C(Predicted)
density  1.397±0.06 g/cm3(Predicted)
form  solid
pka 12.61±0.70(Predicted)
BRN  2718454
InChI 1S/C7H7FN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey YKOBLHQALWQKTC-UHFFFAOYSA-N
SMILES NC(=S)Nc1cccc(F)c1
CAS DataBase Reference 458-05-9(CAS DataBase Reference)

Safety Data

Hazard Codes  T,Xi
Risk Statements 
R25:Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
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
Skin Irrit. 2
STOT SE 3

Hazard Information

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