4-Iodobenzoic Acid

Catalog Number

ACM619589

Product Name

4-Iodobenzoic Acid

Structure

CAS

619-58-9

Category

Heterocyclic Organic Compound

IUPAC Name

4-iodobenzoic acid

Molecular Weight

248.02

Molecular Formula

C7H5IO2

Canonical SMILES

C1=CC(=CC=C1C(=O)O)I

InChI

InChI=1S/C7H5IO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)

InChI Key

GHICCUXQJBDNRN-UHFFFAOYSA-N

Appearance

White to Light yellow to Light orange powder to crystal

Complexity

128

Covalently-Bonded Unit Count

1

EC Number

210-603-2

Exact Mass

247.93343g/mol

Formal Charge

0

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

H-Bond Acceptor

2

H-Bond Donor

1

Heavy Atom Count

10

MDL Number

MFCD00002533

Monoisotopic Mass

247.93343g/mol

NSC Number

3773

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Rotatable Bond Count

1

Signal Word

Warning

UNII

IPO4LYQ1EN

XLogP3

3

MSDS

COA

Spec Sheet