2-Iodoisonicotinic acid

HCID 14530245CAS 58481-10-0
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1ccnc(I)c1
InChIKey
FALCXGCLOUKBSP-UHFFFAOYSA-N
Molecular formula
C6H4INO2
Average molar mass
249.01 g/mol
Monoisotopic mass
248.92867637

Names & identifiers

Preferred name
2-Iodoisonicotinic acid
IUPAC
2-iodopyridine-4-carboxylic acid
English name
2-IODO-ISONICOTINIC ACID
Molecular formula
C6H4INO2
Molecular weight
249.01

Names & synonyms

2-IODOISONICOTINIC ACIDRefChem:473785640-453-72-Iodopyridine-4-carboxylic acid58481-10-02-Iodo-isonicotinic acidMFCD068008032-Iodo-4-pyridinecarboxylic acid4-PYRIDINECARBOXYLIC ACID, 2-IODO-2-Iodopyridine-4-carboxylicacidSCHEMBL2353747DTXSID60561304
Show more names
2-Iodoisonicotinicaci2-Iodopyridine-4-carboxylic ac2-iodopyridine-4-carboxylic acid - [K87026]2-IODO-ISONICOTINIC ACID ISO 9001：2015 REACH
FALCXGCLOUKBSP-UHFFFAOYSA-NSBB065665AKOS015891947AB29977CS-W0039902-Iodopyridine-4-carboxylic acid, 95%AC-22803AS-57930

Database identifiers

CAS
58481-10-0
PubChem CID
14530245
DTXSID
DTXSID60561304
EC Number
640-453-7

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
50.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Melting point
210 · 210-220°C
Boiling point
466.5 · 466.5±30.0 °C(Predicted)
Density
2.123 · 2.123±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
form
solid
pka
3.02 · 3.02±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
hs_code
2933399990
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_class
IRRITANT

Chemistry & industry

Upstream & downstream products

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
安特希（苏州）生物科技有限公司19951207836

Related reactions

3 records
New reaction record

Linked notes

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