Benzoguanamine Structure

Benzoguanamine

Chemical Properties

Melting point 219-221 °C(lit.)
Boiling point 311.95°C (rough estimate)
bulk density 680kg/m3
Density  1.4
vapor pressure  0Pa at 100℃
refractive index  1.6900 (estimate)
Flash point >270°C
storage temp.  Store below +30°C.
solubility  0.3g/l
pka 4.22±0.10(Predicted)
form  Solid
color  White to Off-White
Specific Gravity 1.425
PH 6.5 (0.3g/l, H2O, 20℃)
Water Solubility  320mg/L at 25℃
Merck  14,1089
BRN  153223
Henry's Law Constant 2.4×105 mol/(m3Pa) at 25℃, HSDB (2015)
Cosmetics Ingredients Functions ANTIOXIDANT
FRAGRANCE
InChI 1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)
InChIKey GZVHEAJQGPRDLQ-UHFFFAOYSA-N
SMILES Nc1nc(N)nc(n1)-c2ccccc2
LogP 1.38 at 25℃
CAS DataBase Reference 91-76-9(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances BENZOGUANAMINE
FDA 21 CFR 175.105; 175.300
EWG's Food Scores 1
FDA UNII B9E2Q3VTUB
NIST Chemistry Reference 1,3,5-Triazine-2,4-diamine, 6-phenyl-(91-76-9)
EPA Substance Registry System 1,3,5-Triazine-2,4-diamine, 6-phenyl- (91-76-9)
UNSPSC Code 12352116
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302+H332-H319-H412
Precautionary statements P261-P264-P273-P301+P312-P304+P340+P312-P305+P351+P338
Hazard Codes  Xn
Risk Statements  22-52/53
Safety Statements  61
WGK Germany  2
RTECS  XY7000000
TSCA  TSCA listed
HazardClass  IRRITANT
HS Code  29336980
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Irrit. 2
Hazardous Substances Data 91-76-9(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 1470 mg/kg
NFPA 704:
1
2 0

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