Basic information
- Name:
4-Iodotoluene
- CAS No.:
624-31-7
- Molecular Structure:
- Formula:
- C7H7I
- Molecular Weight:
- 218.04
- Synonyms:
- Toluene,p-iodo- (7CI,8CI);1-Iodo-4-methylbenzene;1-Methyl-4-iodobenzene;4-Iodomethylbenzene;
- EINECS:
- 210-841-7
- Density:
- 1.706 g/cm3
- Melting Point:
- 33-36 °C
- Boiling Point:
- 211.5 °C at 760 mmHg
- Flash Point:
- 86.3 °C
- Solubility:
- insoluble in water
- Appearance:
- white to light yellow crystalline low melting mass
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 24/25-26 Details
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Chemistry
IUPAC Name: 1-Iodo-4-methylbenzene
Synonyms of 4-Iodotoluene (CAS NO.624-31-7): 1-Methyl-4-iodobenzene ; p-Iodotoluene ; p-Methyliodobenzene ; p-Tolyl iodide
CAS NO: 624-31-7
Molecular Formula: C7H7I
Molecular Weight: 109.13
Molecular Structure: 
EINECS: 210-841-7
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 0 Å2
Index of Refraction: 1.604
Molar Refractivity: 43.98 cm3
Molar Volume: 127.7 cm3
Surface Tension: 39.5 dyne/cm
Density: 1.706 g/cm3
Flash Point: 86.3 °C
Enthalpy of Vaporization: 42.95 kJ/mol
Boiling Point: 211.5 °C at 760 mmHg
Vapour Pressure: 0.264 mmHg at 25°C
Melting point: 33-36°C
Water solubility: insoluble
Sensitive: Light Sensitive
Appearance: white to light yellow crystalline
SMILES: Ic1ccc(cc1)C
InChI: InChI=1/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKey: UDHAWRUAECEBHC-UHFFFAOYAY
Std. InChI: InChI=1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
Std. InChIKey: UDHAWRUAECEBHC-UHFFFAOYSA-N
Product Categories of 4-Iodotoluene (CAS NO.624-31-7): Aromatic Hydrocarbons (substituted) & Derivatives;Halogen toluene;Iodine Compounds;Pharmaceutical Intermediate
Uses
4-Iodotoluene (CAS NO.624-31-7) is mainly used for bio-pharmaceutical.
Safety Profile
The Hazard Codes: 
Xi
The Risk Statements information:
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
24/25: Avoid contact with skin and eyes
WGK Germany: 3
TSCA: T
Hazard Note: Irritant
Explodes when heated above 200°C. Upon decomposition it emits toxic fumes of I−. See also IODIDES.
Specification
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.
Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Keep container closed when not in use.
