3-Chloro-4-iodopyridine - CAS 77332-79-7

Catalog:	BB035897
Product Name:	3-Chloro-4-iodopyridine
CAS:	77332-79-7
Synonyms:	3-chloro-4-iodopyridine

Technical Data

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Computed Properties

IUPAC Name:	3-chloro-4-iodopyridine
Description:	3-Chloro-4-iodopyridine (CAS# 77332-79-7) is also an intermediate for the synthesis of 5-Chloro-4-(trifluoromethyl)-2-pyridinecarboxylic Acid (C421715).
Molecular Weight:	239.44
Molecular Formula:	C5H3ClIN
Canonical SMILES:	C1=CN=CC(=C1I)Cl
InChI:	InChI=1S/C5H3ClIN/c6-4-3-8-2-1-5(4)7/h1-3H
InChI Key:	SQXBYRRNGPVSAU-UHFFFAOYSA-N
Boiling Point:	245.001 °C at 760 mmHg
Density:	2.052 g/cm³
MDL:	MFCD00272199
LogP:	2.33960

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GHS Hazard Statement:	H302 (95.24%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	78.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.89987
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	238.89987
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1