1-(triphenylmethyl)-1H-imidazole-4-carbaldehyde

HCID 618233
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Basic information

CAS
33016-47-6
Standard SMILES
O=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIKey
YQYLLBSWWRWWAY-UHFFFAOYSA-N
Molecular formula
C23H18N2O
Average molar mass
338.4 g/mol
Monoisotopic mass
338.1419132

Names & identifiers

Preferred name
1-(triphenylmethyl)-1H-imidazole-4-carbaldehyde
IUPAC
1-tritylimidazole-4-carbaldehyde
English name
1-Tritylimidazole-4-carboxaldehyde
Molecular formula
C23H18N2O
Molecular weight
338.4

Names & synonyms

1-(triphenylmethyl)-1H-imidazole-4-carbaldehydeRefChem:428859620-447-033016-47-61-Tritylimidazole-4-carboxaldehyde1-Trityl-1H-imidazole-4-carbaldehyde1-Trityl-1H-imidazole-4-carboxaldehyde1-tritylimidazole-4-carbaldehydeMFCD02179554N-(Triphenylmethyl)-4-imidazolecarboxaldehyde4-Formyl-1-tritylimidazole1-trityl-imidazole-4-carboxaldehyde
Show more names
AKOS 215-50RARECHEM AN KA 00274-formyl-1-trithyl-imidazole1-Trityl-4-formyl-1H-imidazole1-Trityl-imidazol-4-carbaldehyde1-TRITYL-IMDAZOLE-4-CARBOXADEHYDE
1-(triphenylmethyl)imidazole-4-carbaldehyde4-Formyl-1-trityl-1H-imidazole1H-IMIDAZOLE-4-CARBOXALDEHYDE, 1-(TRIPHENYLMETHYL)-1-(triphenylmethyl)-4-imidazolecarboxaldehyde1-Trityl-4-formylimidazoleDexmedetomidine Impurity N1N-trityl-4-(formyl)imidazoleSCHEMBL312750

Database identifiers

CAS
33016-47-6
PubChem CID
618233
DTXSID
DTXSID70347131
EC Number
620-447-0
Nikkaji
J806.978F

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
34.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
26

Physicochemical properties

Melting point
180 · 180-190°C
Boiling point
502.8 · 502.8±45.0 °C(Predicted)
Density
1.1 · 1.10±0.1 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility
Acetonitrile (Slightly), Methanol (Slightly)
form
solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 12 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (83.3%)；Eye Irrit. 2 (91.7%)；STOT SE 3 (75%)

Safety data

wgk
WGK 3
hs_code
29332900
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications

Uses1-Tritylimidazole-4-carboxaldehyde is used in the synthesis of histamine and girolline

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海恩氟佳科技有限公司15800445152 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Related reactions

93 records
New reaction record

Compound notes

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