CAS 33769-07-2 [1-(triphenylmethyl)-1H-imidazol-4-yl]methanol (HCID 382182)

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Basic information

CAS: 33769-07-2
Standard SMILES: OCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIKey: DVQYFYUODSFBFS-UHFFFAOYSA-N
Molecular formula: C23H20N2O
Average molar mass: 340.4 g/mol
Monoisotopic mass: 340.15756326

Names & identifiers

Preferred name: [1-(triphenylmethyl)-1H-imidazol-4-yl]methanol
IUPAC: (1-tritylimidazol-4-yl)methanol
English name: 1-Trityl-1H-imidazole-4-methanol
Molecular formula: C23H20N2O
Molecular weight: 340.42

Names & synonyms

[1-(triphenylmethyl)-1H-imidazol-4-yl]methanol(1-(triphenylmethyl)-1H-imidazol-4-yl)methanolRefChem:391960672-910-133769-07-21-Trityl-1H-imidazole-4-methanol(1-Trityl-1H-imidazol-4-yl)methanol(1-tritylimidazol-4-yl)methanolMFCD021795534-Hydroxymethyl-1H-tritylimidazoleNSC6696414-(HYDROXYMETHYL)-1-TRITYL-1H-IMIDAZOLE

Show more names

RARECHEM AL BD 09311-TRITYL-IMIDOZOLE-4-METHANOL1-TRITYL IMIDAZOLE-2-METHANOL1-Trityl-1H-imidazole-4-methanol98%(1-TRITYL-1H-IMIDAZOL-4-YL)-METHANOL1-Triphenylmethylimidazole-4-methanol

Imidazole-5-methanol, 3-trityl-4-(Hydroxymethyl)-1-tritylimidazoleMedetomidine Impurity 2SCHEMBL1342CHEMBL20058854-hydroxymethyl-1-tritylimidazoleDTXSID603276041-trityl-4-hydroxymethyl-imidazole

Database identifiers

CAS: 33769-07-2
PubChem CID: 382182

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 376

Physicochemical properties

Melting point: 226 · 226-232
Boiling point: 516.1 · 516.1±45.0 °C(Predicted)
Density: 1.1 · 1.10±0.1 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 13.61 · 13.61±0.10(Predicted)
Appearance: Off-white to light brown Solid
CAS DataBase Reference: 33769 · 33769-07-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): 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 3 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 (33.3%)

Safety data

risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362