2-Benzothiazolamine Structure

2-Benzothiazolamine

Chemical Properties

Melting point 126-129 °C (lit.)
Boiling point 190-195 °C(Press: 0.05 Torr)
Density  1.2162 (rough estimate)
refractive index  1.5500 (estimate)
storage temp.  Store below +30°C.
solubility  Soluble in alcohol, chloroform, diethyl ether.
pka pK1: 4.48(+1) (20°C)
form  Powder or Flakes
color  Beige to grayish
Water Solubility  <0.1 g/100 mL at 19 ºC
Merck  14,424
BRN  116315
Henry's Law Constant 7.6×104 mol/(m3Pa) at 25℃, HSDB (2015)
InChI 1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
InChIKey UHGULLIUJBCTEF-UHFFFAOYSA-N
SMILES Nc1nc2ccccc2s1
CAS DataBase Reference 136-95-8(CAS DataBase Reference)
FDA UNII 08K5TLY3EQ
NIST Chemistry Reference Benzothiazole, 2-amino-(136-95-8)
EPA Substance Registry System 2-Aminobenzothiazole (136-95-8)
UNSPSC Code 12352116
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H319
Precautionary statements P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Hazard Codes  Xn,Xi
Risk Statements  22-36
Safety Statements  26
RIDADR  UN 2811 6.1/PG 3
WGK Germany  2
RTECS  DL1050000
Hazard Note  Irritant
TSCA  TSCA listed
HS Code  29342080
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Hazardous Substances Data 136-95-8(Hazardous Substances Data)
NFPA 704:
0
0 0

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