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tert-butyl 4-formylimidazole-1-carboxylate

tert-butyl 4-formylimidazole-1-carboxylate structure

CAS No:
89525-40-6
Formula:
C9H12N2O3
Chemical Name:
tert-butyl 4-formylimidazole-1-carboxylate
Synonyms:
1-Boc-imidazole-4-carboxaldehyde; 1-Boc-4-formyl-1H-imidazole; t-butyl 4-formyl-1H-imidazole-1-carboxylate; 1H-Imidazole-1-carboxylic acid,4-formyl-,1,1-dimethylethyl ester; 1-(dimethylethoxycarbonyl)imidazole-4-carboxaldehyde; TERT-BUTYL 4-FORMYL-1H-IMIDAZOLE-1-CARBOXYLATE; 1-tert-butoxycarbonyl-1H-imidazole-4-carbaldehyde; 1-(butyloxycarbonyl)imidazole-4-carboxaldehyde; 1-[1,1-Dimethylethoxycarbonyl]-4-imidazolecarboxaldehyde;Expand

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tert-butyl 4-formylimidazole-1-carboxylate Basic Attributes

Molecular Weight：

196.20300

Exact Mass：

196.08479225

DSSTox ID：

DTXSID40573167

HScode：

2933290090

Characteristics

PSA：

61.19000

XLogP3：

1.47880

Density：

1.166g/cm3

Boiling Point：

318.307ºC

Flash Point：

146.307ºC

Refractive Index：

1.525

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:196.20
XLogP3:1.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:196.08479225
Monoisotopic Mass:196.08479225
Topological Polar Surface Area:61.2
Heavy Atom Count:14
Complexity:235
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of tert-butyl 4-formylimidazole-1-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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