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2-IODO-ISONICOTINIC ACID

2-IODO-ISONICOTINIC ACID structure

CAS No:
58481-10-0
Formula:
C6H4INO2
Chemical Name:
2-IODO-ISONICOTINIC ACID
Synonyms:
2-IODO-ISONICOTINIC ACID;2-Iodopyridine-4-carboxylicacid;2-Iodopyridine-4-carboxylic ac;2-Iodo-4-pyridinecarboxylic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-IODO-ISONICOTINIC ACID Basic Attributes

Molecular Weight：

249.01

Exact Mass：

248.928665

EC Number：

-0

DSSTox ID：

DTXSID60561304

HScode：

2933399090

Characteristics

PSA：

50.19000

XLogP3：

1.38440

Density：

2.1±0.1 g/cm3

Melting Point：

210-220°C

Boiling Point：

466.545°C at 760 mmHg

Flash Point：

236.0±24.6 °C

Refractive Index：

1.677

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:249.01
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:248.92868
Monoisotopic Mass:248.92868
Topological Polar Surface Area:50.2
Heavy Atom Count:10
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes