Propyl iodide

1.Introduction of 1-Iodopropane

This product is an organic compound with the formula C₃H₇I. The systematic name of this chemical is 1-Iodopropane. It belongs to the product categories of Pharmaceutical Intermediates; Organics; Iodine Compounds. Its EINECS number is 203-460-2. With the CAS registry number 107-08-4, it is also named as Propane,1-iodo-. In addition, the molecular weight is 169.99. Its classification code is Tumor data. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides, bases, heat and fire. It can be used as an organic synthesis intermediate, an analytical regent and a solvent.

2. Physical properties of 1-Iodopropane

(1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 51.91; (6)ACD/BCF (pH 7.4): 51.91; (7)ACD/KOC (pH 5.5): 588.03; (8)ACD/KOC (pH 7.4): 588.03; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.508; (13)Molar Refractivity: 28.91 cm³; (14)Molar Volume: 96.8 cm³; (15)Polarizability: 11.46×10^-24cm³; (16)Surface Tension: 29.3 dyne/cm; (17)Density: 1.754 g/cm³; (18)Flash Point: 44.4 °C; (19)Enthalpy of Vaporization: 32.08 kJ/mol; (20)Boiling Point: 102.9 °C at 760 mmHg; (21)Vapour Pressure: 38.2 mmHg at 25°C.

3.Structure descriptors of 1-Iodopropane

(1)SMILES: ICCC
(2)Std. InChI: InChI=1S/C3H7I/c1-2-3-4/h2-3H2,1H3
(3)Std. InChIKey: PVWOIHVRPOBWPI-UHFFFAOYSA-N

4.Uses of 1-Iodopropane

1-Iodopropane can be used to produce toluene-4-thiosulfonic acid S-propyl ester at the ambient temperature. It will needneed solvent dimethylformamide with the reaction time of 38 hours. The yield is about 64%.

5.Safety information of 1-Iodopropane

This chemical is flammable, so you should keep it away from sources of ignition - No smoking. It is harmful by inhalation and is harmful to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves. You should avoid releasing it to the environment just refering to special instructions/safety data sheet.

6.The toxicity data is of 1-Iodopropane

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	intraperitoneal	595mg/kg (595mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 103, 1982.
mouse	LD50	intraperitoneal	297mg/kg (297mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 103, 1982.
mouse	LD50	intravenous	300mg/kg (300mg/kg)		Drugs in Japan Vol. -, Pg. 1039, 1990.
mouse	LD50	oral	> 1800mg/kg (1800mg/kg)		Drugs in Japan Vol. -, Pg. 1039, 1990.
rat	LC50	inhalation	73gm/m3/30M (73000mg/m3)		Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. Vol. 7, Pg. 35, 1975.
rat	LD50	intraperitoneal	650mg/kg (650mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 103, 1982.