97-39-2

Name Di-o-tolylguanidine
CAS 97-39-2
EINECS(EC#) 202-577-6
Molecular Formula C15H17N3
MDL Number MFCD00008513
Molecular Weight 239.32
MOL File 97-39-2.mol
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Chemical Properties

Melting point  176-178 °C(lit.)
Boiling point  371.98°C (rough estimate)
density  1.1000
vapor pressure  0Pa at 25℃
refractive index  1.4560 (estimate)
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  water: soluble70mg/mL at 20°C
form  solid
pka 10.32±0.10(Predicted)
color  White
Water Solubility  70mg/L at 20℃
Stability: Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.
InChI 1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
InChIKey OPNUROKCUBTKLF-UHFFFAOYSA-N
SMILES Cc1ccccc1NC(=N)Nc2ccccc2C
LogP 2.9 at 25℃
CAS DataBase Reference 97-39-2(CAS DataBase Reference)
NIST Chemistry Reference Guanidine, 1,3-di-o-tolyl-(97-39-2)
EPA Substance Registry System 97-39-2(EPA Substance)
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Safety Data

Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
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
WGK Germany  3
RTECS  MF1400000
TSCA  Yes
REACH Registrations Active
HazardClass  6.1(b)
PackingGroup  III
HS Code  29252900
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Hazardous Substances Data 97-39-2(Hazardous Substances Data)

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