4-(6-Methyl-2-benzothiazolyl)benzeneamine Structure

4-(6-Methyl-2-benzothiazolyl)benzeneamine

Chemical Properties

Melting point 191-196°C
Boiling point 434°C
Density  1.1769 (rough estimate)
refractive index  1.5700 (estimate)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  ≥ 24mg/mL in DMSO
form  Flakes
pka 2.79±0.10(Predicted)
color  Light yellow to green yellow
Water Solubility  <0.1 g/100 mL at 20 ºC
InChI InChI=1S/C14H12N2S/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3
InChIKey XRTJYEIMLZALBD-UHFFFAOYSA-N
SMILES C1(N)=CC=C(C2=NC3=CC=C(C)C=C3S2)C=C1
LogP 3.56 at 25℃
CAS DataBase Reference 92-36-4(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 69UN466K3Z
NIST Chemistry Reference Benzenamine, 4-(6-methyl-2-benzothiazolyl)-(92-36-4)
EPA Substance Registry System 4-(6-Methyl-2-benzothiazolyl)aniline (92-36-4)
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Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H319-H335-H315
Precautionary statements P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes  Xi
RTECS  DL2820000
TSCA  TSCA listed
HazardClass  IRRITANT
HS Code  2934208090

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