4-Iodotoluene

Catalog Number

ACM624317

Product Name

4-Iodotoluene

Structure

CAS

624-31-7

Category

Heterocyclic Organic Compound

IUPAC Name

1-iodo-4-methylbenzene

Molecular Weight

218.03

Molecular Formula

C7H7I

Canonical SMILES

CC1=CC=C(C=C1)I

InChI

InChI=1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3

InChI Key

UDHAWRUAECEBHC-UHFFFAOYSA-N

Boiling Point

211.5 °C

Melting Point

33-35 °C

Density

1.678 g/ml

Appearance

White to light yellow crystalline

Complexity

62.8

Covalently-Bonded Unit Count

1

EC Number

210-841-7

Exact Mass

217.95925g/mol

Formal Charge

0

Hazard Statements

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

H-Bond Acceptor

0

H-Bond Donor

0

Heavy Atom Count

8

MDL Number

MFCD00001059

Monoisotopic Mass

217.95925g/mol

NSC Number

3776

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

0

Signal Word

Warning

UNII

G75KCN1AM8

XLogP3

3.8

MSDS

COA

Spec Sheet