1,3-Diphenyl-2-thiourea Structure

1,3-Diphenyl-2-thiourea

Chemical Properties

Melting point 152-155 °C(lit.)
Boiling point 50℃
Density  1.32
bulk density 400kg/m3
vapor pressure  0.001Pa at 25℃
refractive index  1.5700 (estimate)
storage temp.  Store below +30°C.
pka 12.68±0.70(Predicted)
form  Crystalline Powder
color  White to pale yellow
Water Solubility  <0.01 g/100 mL at 19 ºC
Merck  14,3333
BRN  644277
Stability Stable. Combustible. Incompatible with strong oxidizing agents.
InChI 1S/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
InChIKey FCSHMCFRCYZTRQ-UHFFFAOYSA-N
SMILES S=C(Nc1ccccc1)Nc2ccccc2
LogP 3.6
CAS DataBase Reference 102-08-9(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances 1,3-DIPHENYL-2-THIOUREA
FDA 21 CFR 175.105; 177.2600; 178.2010
EWG's Food Scores 1
FDA UNII 9YCB5VR86Z
NIST Chemistry Reference Thiourea, n,n'-diphenyl-(102-08-9)
EPA Substance Registry System Diphenylthiourea (102-08-9)
UNSPSC Code 12352111
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
Signal wordWarning
Hazard statements H317-H361d-H373-H411
Precautionary statements P201-P202-P273-P280-P302+P352-P308+P313
Hazard Codes  T
Risk Statements  25
Safety Statements  36/37/39-45-24/25
RIDADR  UN 2811 6.1/PG 2
WGK Germany  3
RTECS  FE1225000
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  II
HS Code  29309070
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 2
Repr. 2
Skin Sens. 1
STOT RE 2
Hazardous Substances Data 102-08-9(Hazardous Substances Data)
Toxicity MLD orally in rabbits: 1.5 g/kg (Hanzlik, Irvine)
NFPA 704:
1
3 0

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