Basic information
- CAS
101-01-9- Standard SMILES
c1ccc(N=C(Nc2ccccc2)Nc2ccccc2)cc1- InChIKey
FUPAJKKAHDLPAZ-UHFFFAOYSA-N- Molecular formula
- C19H17N3
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.14224756
Names & identifiers
- Preferred name
- 1,2,3-Triphenylguanidine
- IUPAC
- 1,2,3-triphenylguanidine
- English name
- 1,2,3-Triphenylguanidine
- Molecular formula
- C19H17N3
- Molecular weight
- 287.36
Names & synonyms
1,2,3-Triphenylguanidine101-01-9N,N',N''-TriphenylguanidineGuanidine, N,N',N''-triphenyl-Triphenylguanidinesym-TriphenylguanidineGuanidine, triphenyl-1,2,3-TrifenylguanidinGUANIDINE, 1,2,3-TRIPHENYL-1,2,3-Trifenylguanidin [Czech]NSC 4051EINECS 202-907-9
Show more names
«NSC4051,N«NSC 4051N,N«TRIPHENYLGUANIDINEA-TRIPHENYLGUANIDINE3-Triphenylguanidine
BRN 2217588I64B170QFGAI3-00102NSC-4051DTXSID20592234-12-00-00866 (Beilstein Handbook Reference)RefChem:410865DTXCID0032572
Database identifiers
- CAS
101-01-9- PubChem CID
- 7539
- DTXSID
DTXSID2059223- UNII
- I64B170QFG
- EC Number
- 202-907-9
- Nikkaji
- J46.822C
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 313
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Ionization Efficiency
Positive
5.22
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Physicochemical properties
- Melting point
- 146 · 146-147°C
- Boiling point
- 419.66 °C · 419.66°C (rough estimate)
- Density
- 1 · 1,16 g/cm3
- refractive index
- 1.58 · 1.5800 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 9.1 · 9.10±0.10(Predicted)
- color
- White to Almost white
- Water Solubility
- Slightly soluble in water.
- FDA 21 CFR
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Guanidine, N,N',N''-triphenyl-
Hazard Classes and CategoriesAcute Tox. 4 (91.1%)
Safety data
- tsca
- TSCA listed
- rtecs
- MF6825000
- hs_code
- 29252900
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39-36/37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationGuanidine, N,N',N''-triphenyl-: ACTIVE
Applications
UsesIt is employed as a intermediate for organic synthesis.
UsesAccelerator for vulcanization of rubber.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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