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| CAS No.: | 59473-45-9 |
|---|---|
| Name: | 2-Iodobenzyl chloride |
| Article Data: | 18 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H6ClI |
| Molecular Weight: | 252.482 |
| Synonyms: | Toluene, a-chloro-o-iodo- (6CI);1-Chloromethyl-2-iodobenzene;Benzene,1-(chloromethyl)-2-iodo-;o-Iodobenzyl chloride;a-Chloro-o-iodotoluene; |
| EINECS: | 261-779-2 |
| Density: | 1.813 g/cm3 |
| Melting Point: | 29-31 °C |
| Boiling Point: | 256.6 °C at 760 mmHg |
| Flash Point: | 115 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-36/37 |
| Safety: | 26-27-28-36/37/39-45 |
| Transport Information: | UN 3261 |
| PSA: | 0.00000 |
| LogP: | 3.03000 |
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Chemistry
The molecular structure of 2-Iodobenzyl chloride (CAS NO.59473-45-9):
IUPAC Name: 1-(Chloromethyl)-2-iodobenzene
Molecular Weight: 252.48001 g/mol
Molecular Formula: C7H6ClI
Density: 1.813 g/cm3
Melting Point: 29-31 °C(lit.)
Boiling Point: 256.6 °C at 760 mmHg
Flash Point: 115 °C
Index of Refraction: 1.62
Molar Refractivity: 48.92 cm3
Molar Volume: 139.2 cm3
Surface Tension: 43.8 dyne/cm
Enthalpy of Vaporization: 47.41 kJ/mol
Vapour Pressure: 0.0246 mmHg at 25 °C
XLogP3: 3.3
Rotatable Bond Count: 1
Exact Mass: 251.920271
MonoIsotopic Mass: 251.920271
Canonical SMILES: C1=CC=C(C(=C1)CCl)I
InChI: InChI=1S/C7H6ClI/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChIKey: FTMNWZHKQGKKAU-UHFFFAOYSA-N
EINECS: 261-779-2
Product Categories of 2-Iodobenzyl chloride (CAS NO.59473-45-9): Aryl; C7; Halogenated Hydrocarbons
Safety Profile
Hazard Codes: 
C
Risk Statements: 34-36/37
R34:Causes burns.
R36/37:Irritating to eyes and respiratory system.
Safety Statements: 26-27-28-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27:Take off immediately all contaminated clothing.
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
HazardClass: 8
PackingGroup: III
Specification
2-Iodobenzyl chloride (CAS NO.59473-45-9) is also named as 1-(Chloromethyl)-2-iodobenzene ; Benzene, 1-(chloromethyl)-2-iodo- .