5-(tert-Butyl)imidazole-4-carbaldehyde - CAS 714273-83-3

Catalog:	BB034375
Product Name:	5-(tert-Butyl)imidazole-4-carbaldehyde
CAS:	714273-83-3
Synonyms:	5-tert-butyl-1H-imidazole-4-carboxaldehyde; 5-tert-butyl-1H-imidazole-4-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	5-tert-butyl-1H-imidazole-4-carbaldehyde
Description:	5-(tert-Butyl)imidazole-4-carbaldehyde (CAS# 714273-83-3 ) is a useful research chemical.
Molecular Weight:	152.19
Molecular Formula:	C8H12N2O
Canonical SMILES:	CC(C)(C)C1=C(N=CN1)C=O
InChI:	InChI=1S/C8H12N2O/c1-8(2,3)7-6(4-11)9-5-10-7/h4-5H,1-3H3,(H,9,10)
InChI Key:	FSTXHTKEZGSDNN-UHFFFAOYSA-N
Boiling Point:	338.876 °C at 760 mmHg
Density:	1.092 g/cm³
MDL:	MFCD14583325
LogP:	1.51970

Publication Number	Title	Priority Date
CN-111793033-A	Preparation method of plinabulin intermediate imidazole formaldehyde compound	20200810
CN-109580801-B	High performance liquid chromatography for detecting tubulin inhibitor and related impurities	20180626
WO-2019149254-A1	Crystal form of small molecule immune compound, preparation method therefor and pharmaceutical composition containing same	20180201
AU-2019214168-A1	Crystal form of small molecule immune compound, preparation method therefor and pharmaceutical composition containing same	20180201
US-2021032223-A1	Crystal form of small molecule immune compound, preparation method thereof and pharmaceutical composition containing the same	20180201

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.094963011
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.094963011
Rotatable Bond Count:	2
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6