5-Iodo-2-nitrophenol - CAS 27783-55-7

Catalog:	BB076965
Product Name:	5-Iodo-2-nitrophenol
CAS:	27783-55-7
Synonyms:	Phenol, 5-iodo-2-nitro-; 2-Hydroxy-4-iodonitrobenzene

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5-iodo-2-nitrophenol
Molecular Weight:	265.01
Molecular Formula:	C6H4INO3
Canonical SMILES:	C1=CC(=C(C=C1I)O)[N+](=O)[O-]
InChI:	InChI=1S/C6H4INO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H
InChI Key:	NWDXJGPGCDHUJO-UHFFFAOYSA-N
Boiling Point:	312.9±32.0°C (Predicted)
Melting Point:	96°C
Purity:	≥95%
Density:	2.176±0.06 g/cm3 (Predicted)
Storage:	Store at 2-8°C, protect from light

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Related Functional Groups

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Halides

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
Signal Word:	Warning

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	264.92359
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	264.92359
Rotatable Bond Count:	0
Topological Polar Surface Area:	66
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6