Basic information
- CAS
91-78-1- Standard SMILES
c1ccc(N2CN(c3ccccc3)CN(c3ccccc3)C2)cc1- InChIKey
VASMRQAVWVVDPA-UHFFFAOYSA-N- Molecular formula
- C21H21N3
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.17354768
Names & identifiers
- Preferred name
- Hexahydro-1,3,5-triphenyl-1,3,5-triazine
- IUPAC
- 1,3,5-triphenyl-1,3,5-triazinane
- English name
- Hexahydro-1,3,5-triphenyl-1,3,5-triazine
- Molecular formula
- C21H21N3
- Molecular weight
- 315.41
Names & synonyms
91-78-1Hexahydro-1,3,5-triphenyl-1,3,5-triazine1,3,5-Triazine, hexahydro-1,3,5-triphenyl-1,3,5-Triphenylhexahydro-1,3,5-triazineUNII-X3TZ97444KMethyleneaniline trimerX3TZ97444KNSC 9419NSC-9419EINECS 202-097-7DTXSID5059032HEXAHYDRO-1,3,5-TRIPHENYL-S-TRIAZINE
Show more names
formanil trimerTIMTEC-BB SBB007857LABOTEST-BB LT00455812Tris(methylene aniline)Tris(anhydroformaldaniline)1,3,5-triphenyl-1,3,5-triazine
1,3,5-Triphenylhexahydrotriazine1,3,5-TRIPHENYL-1,3,5-TRIAZACYCLOHEXANEN,N,N-TRIPHENYLHEXAHYDRO-S-TRIAZINERefChem:146029DTXCID9048724VASMRQAVWVVDPA-UHFFFAOYSA-N1,3,5-Triphenyl-1,3,5-triazinaneAnhydroformaldehyde aniline
Database identifiers
- CAS
91-78-1- PubChem CID
- 7065
- DTXSID
DTXSID5059032- UNII
- X3TZ97444K
- EC Number
- 202-097-7
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 9.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 190 · 190-192°C
- Boiling point
- 444.96 °C · 444.96°C (rough estimate)
- Density
- 1.1227 · 1.1227 (rough estimate)
- refractive index
- 1.638 · 1.6380 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 3.78 · 3.78±0.40(Predicted)
- Appearance
- White to off-white Solid
- BRN
- 91510 · 91510
- CAS DataBase Reference
- 91 · 91-78-1(CAS DataBase Reference)
- FDA UNII
- 3 TZ97444K · X3TZ97444K
- EPA Substance Registry System
- 1 · 1,3,5-Triazine, hexahydro-1,3,5-triphenyl- (91-78-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
Safety data
- tsca
- TSCA listed
- ridadr
- 2811
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-36/37
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3,5-Triazine, hexahydro-1,3,5-triphenyl-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers45 total
山东玖玥生物科技有限公司15553333686 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
济南药德生物科技有限公司17805033575; 17805033575 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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