2-Iodobenzoic acid - CAS 88-67-5

Name: 2-Iodobenzoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB039135
Product Name:	2-Iodobenzoic acid
CAS:	88-67-5
Synonyms:	Benzoic acid, 2-iodo-; Benzoic acid, o-iodo-; 2-Carboxyphenyl iodide; NSC 3772; o-Iodobenzoic acid

Technical Data

IUPAC Name:	2-iodobenzoic acid
Molecular Weight:	248.02
Molecular Formula:	C7H5IO2
Canonical SMILES:	C1=CC=C(C(=C1)C(=O)O)I
InChI:	InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChI Key:	CJNZAXGUTKBIHP-UHFFFAOYSA-N
Boiling Point:	313.9±25.0°C at 760 mmHg
Melting Point:	163°C
Purity:	95%
Density:	1.999±0.06 g/cm3
Solubility:	Soluble in DMSO (Slightly), Dimethyl Sulfoxide, Methanol (Slightly), Water (Sparingly)
Appearance:	White powder
Storage:	Store at RT under inert atmosphere
MDL:	MFCD00002419
LogP:	1.98940
Vapor Pressure:	0.000198 [mmHg]

GHS Hazard Statement:	H302 (99.16%): 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

Publication Number	Title	Priority Date
US-2021189018-A1	Hyaluronic acid derivatives	20191220
WO-2021127356-A1	Substituted Bicyclic and Tricyclic Ureas and Amides, Analogues Thereof, and Methods Using Same	20191220
WO-2021127375-A1	Hyaluronic acid derivatives	20191220
WO-2021117846-A1	Compound serving as pdgf receptor kinase inhibitor, and composition	20191213
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212

PMID	Publication Date	Title	Journal
22967461	20120919	Enantioselective synthesis of α-oxy amides via Umpolung amide synthesis	Journal of the American Chemical Society
22969460	20120901	Diaqua-bis-(2-iodo-benzoato-κO)bis-(nicotinamide-κN(1))copper(II)	Acta crystallographica. Section E, Structure reports online
22669760	20120801	New protein footprinting: fast photochemical iodination combined with top-down and bottom-up mass spectrometry	Journal of the American Society for Mass Spectrometry
22565295	20120618	Providing support in favor of the existence of a Pd(II)/Pd(IV) catalytic cycle in a Heck-type reaction	Chemistry (Weinheim an der Bergstrasse, Germany)
22590108	20120501	catena-Poly[[aqua-(2-iodo-benzoato-κO)cobalt(II)]-μ-aqua-μ-2-iodo-benzoato-κ(2)O:O']	Acta crystallographica. Section E, Structure reports online

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.93343
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	247.93343
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4