2,3,5-Trichloropyridine-4-carbaldehyde - CAS 251997-31-6

Catalog:	BB018797
Product Name:	2,3,5-Trichloropyridine-4-carbaldehyde
CAS:	251997-31-6
Synonyms:	2,3,5-trichloro-4-pyridinecarboxaldehyde; 2,3,5-trichloropyridine-4-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2,3,5-trichloropyridine-4-carbaldehyde
Description:	2,3,5-Trichloropyridine-4-carbaldehyde (CAS# 251997-31-6) is a useful research chemical.
Molecular Weight:	210.45
Molecular Formula:	C6H2Cl3NO
Canonical SMILES:	C1=C(C(=C(C(=N1)Cl)Cl)C=O)Cl
InChI:	InChI=1S/C6H2Cl3NO/c7-4-1-10-6(9)5(8)3(4)2-11/h1-2H
InChI Key:	RZNIINCSHCFUNN-UHFFFAOYSA-N
Boiling Point:	274 °C at 760 mmHg
Density:	1.616 g/cm³
MDL:	MFCD06410668
LogP:	2.85430

Publication Number	Title	Priority Date
WO-2021138391-A1	Indazole compounds	20191230
CA-2992926-A1	Peptide macrocycles against acinetobacter baumannii	20151027
EP-3368544-A1	Peptide macrocycles against acinetobacter baumannii	20151027
EP-3368544-B1	Peptide macrocycles against acinetobacter baumannii	20151027
JP-2018535960-A	Peptide macrocycle against Acinetobacter baumannii	20151027

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Carbonyl Compounds

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.920197
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.920197
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5