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CAS No.: | 5100-98-1 |
---|---|
Name: | 3-Chloro-2-iodotoluene |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C7H6ClI |
Molecular Weight: | 252.482 |
Synonyms: | 3-Chloro-2-iodotoluene;Toluene,3-chloro-2-iodo- (7CI,8CI);3-Chloro-2-iodotoluene,98%; |
EINECS: | -0 |
Density: | 1.806 g/cm3 |
Melting Point: | 25-27 °C |
Boiling Point: | 251.1 °C at 760 mmHg |
Flash Point: | 105.7 °C |
Hazard Symbols: | Xi,N |
Risk Codes: | 36/38 |
Safety: | 26-36/37/39 |
PSA: | 0.00000 |
LogP: | 3.25300 |
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The CAS register number of 3-Chloro-2-iodotoluene is 5100-98-1. It also can be called as 3-Chloro-2-iodotoluene,98% and the IUPAC name about this chemical is 1-chloro-2-iodo-3-methylbenzene. The molecular formula about this chemical is C7H6ClI and the molecular weight is 252.48. It belongs to the following product categories which include Aromatic Hydrocarbons (substituted) & Derivatives; Halogen toluene; Chlorine Compounds; Iodine Compounds and so on.
Physical properties about 3-Chloro-2-iodotoluene are: (1)ACD/LogP: 4.57; (2)ACD/LogD (pH 5.5): 4.56; (3)ACD/LogD (pH 7.4): 4.56; (4)ACD/BCF (pH 5.5): 1734.63; (5)ACD/BCF (pH 7.4): 1734.63; (6)ACD/KOC (pH 5.5): 7248.07; (7)ACD/KOC (pH 7.4): 7248.07; (8)Index of Refraction: 1.616; (9)Molar Refractivity: 48.87 cm3; (10)Molar Volume: 139.7 cm3; (11)Polarizability: 19.37x10-24cm3; (12)Surface Tension: 42.3 dyne/cm; (13)Density: 1.806 g/cm3; (14)Flash Point: 105.7 °C; (15)Enthalpy of Vaporization: 46.87 kJ/mol; (16)Boiling Point: 251.1 °C at 760 mmHg; (17)Vapour Pressure: 0.0331 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes and skin. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is stable under normal temperature and pressure. If you want to store it, avoid contact with light in room temperature. You should keep the container tightly sealed in dry, cool places.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1c(cccc1Cl)C
(2)InChI: InChI=1/C7H6ClI/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
(3)InChIKey: FTGLKPMFTLNUBN-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H6ClI/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
(5)Std. InChIKey: FTGLKPMFTLNUBN-UHFFFAOYSA-N