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3-IODOISONICOTINIC ACID

3-IODOISONICOTINIC ACID structure

CAS No:
57842-10-1
Formula:
C6H4INO2
Chemical Name:
3-IODOISONICOTINIC ACID
Synonyms:
3-iodo-4-pyridinecarboxylicaci;3-IODOPYRIDINE-4-CARBOXYLIC ACID;3-IODOISONICOTINIC ACID;3-Iodo-4-pyridinecarboxylic acid;4-Pyridinecarboxylic acid, 3-iodo-;3-Iodo-4-pyridinecarboxylic acid ,97%;3-Iodopyridine-4-carboxylic acid ,97%;3-Iodopyridine-4-carboxylic acid, 4-Carboxy-3-iodopyridine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Yellow solid

3-IODOISONICOTINIC ACID Basic Attributes

Molecular Weight：

249.01

Exact Mass：

248.928665

DSSTox ID：

DTXSID30347233

HScode：

2933399090

Characteristics

PSA：

50.2

XLogP3：

0.85

Appearance：

Off-white to beige Powder

Density：

2.1±0.1 g/cm3

Melting Point：

205-210°C

Boiling Point：

435.7±30.0 °C at 760 mmHg

Flash Point：

217.3±24.6 °C

Refractive Index：

1.677

Storage Conditions：

Keep Cold

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

3-IODOISONICOTINIC ACID Use and Manufacturing

Pyronaridine intermediate.

Computed Properties

Molecular Weight:249.01
XLogP3:1
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