4-Iodotoluene

• CAS: 624-31-7
• Catalog Number: ACM624317
• Category: Other Products
• Molecular Weight: 218.03
• Molecular Formula: C7H7I
• IUPAC Name: 1-iodo-4-methylbenzene
• 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