CAS 5824-40-8 Tritylamine (HCID 138598)

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Basic information

CAS: 5824-40-8
Standard SMILES: NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: BZVJOYBTLHNRDW-UHFFFAOYSA-N
Molecular formula: C19H17N
Average molar mass: 259.3 g/mol
Monoisotopic mass: 259.13609954

Overview

structure in first source

Names & identifiers

Preferred name: Tritylamine
IUPAC: triphenylmethanamine
English name: Triphenylmethylamine
Molecular formula: C19H17N
Molecular weight: 259.35

Names & synonyms

TritylamineTriphenylmethanamine5824-40-8TriphenylmethylamineUR7TF3NW3PNSC-1154DTXSID30206972RefChem:900014DTXCID60129463628-686-2MFCD00008047tritylamin

Show more names

TRT-NH2NSC 1154TRT-AMINEN-TRITYLAMINETritylamine,98%TRITYLAMINE 98.5%Tritylamine, Pract.TIMTEC-BB SBB007795

1,1,1-triphenylmethanaminetriphenyl methylamineTriphenylmethanamine #NSC1154Benzenemethanamine, .alpha.,.alpha.-diphenyl-CS-W012522AS-13269T0517

Database identifiers

CAS: 5824-40-8
PubChem CID: 138598
DTXSID: DTXSID30206972
ChEMBL: CHEMBL272255
UNII: UR7TF3NW3P
EC Number: 628-686-2
Nikkaji: J150.550E

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 235

Physicochemical properties

Melting point: 102 · 102-104 °C (lit.)
Boiling point: 223 °C/14 · 223 °C/14 mmHg (lit.)
Density: 0.9242 · 0.9242 (rough estimate)
refractive index: 1.75 · 1.7500 (estimate)
Flash point: 223 °C/14mm · 223°C/14mm
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 7.77 · 7.77±0.10(Predicted)
color: Off-White
Water Solubility: Insoluble
Sensitive: Air Sensitive
BRN: 2113674 · 2113674
InChI: 1S/C19H17N/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,20H2
InChIKey: BZVJOYBTLHNRDW-UHFFFAOYSA-N
SMILES

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 10-23
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29214990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 3 items

UsesTriphenylmethylamine was used to prepare diamondoid porous organic salt. It was also used in preparation of N-tritylated β-aminoalcohols, useful building blocks in organic synthesis.

UsesTriphenylmethylamine is a trityl derivative that is structurally related to Clotrimazole (C587400). Triphenylmethylamine is used in the preparation of trityl-cysteine analogs as inhibitors of human mi totic kinesin. Triphenylmethylamine is also used as a fireproofing agent.

General DescriptionReaction of triphenylmethylamine with borontrifluoride was studied.