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4-Iodo-1-tritylimidazole

4-Iodo-1-tritylimidazole structure

CAS No:
96797-15-8
Formula:
C22H17IN2
Chemical Name:
4-Iodo-1-tritylimidazole
Synonyms:
4-Iodo-1-[tris(phenyl)methyl]-1H-imidazole;1-(TriphenylMethyl)-4-iodoiMidazole;(4-Iodo-1H-imidazol-1-yl)triphenylmethane, 1,1',1"-[(4-Iodo-1H-imidazol-1-yl)methanetriyl]tribenzene;1H-IMIDAZOLE, 4-IODO-1-(TRIPHENYLMETHYL)-;1-TRITYL-4-IODOIMIDAZOLE;AKOS 6;4-IODO-1-(TRIPHENYLMETHYL)-1-H-IMIDAZOLE;4-IODO-1-TRITYL-1H-IMIDAZOLE
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-Iodo-1-tritylimidazole Basic Attributes

Molecular Weight：

436.29

Exact Mass：

436.04365 g/mol

DSSTox ID：

DTXSID50347139

Characteristics

PSA：

17.8 Å²

Density：

1.40±0.1 g/cm3

Melting Point：

224 °C

Boiling Point：

509.7±45.0 °C(Predicted)

PKA：

3.80±0.61

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:436.3
XLogP3:5.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:436.04365
Monoisotopic Mass:436.04365
Topological Polar Surface Area:17.8
Heavy Atom Count:25
Complexity:363
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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