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Name |
Pentane, 2-chloro- |
EINECS | 210-885-7 |
CAS No. | 625-29-6 | Density | 0.867 g/cm3 |
PSA | 0.00000 | LogP | 2.41380 |
Solubility | N/A | Melting Point |
-137°C |
Formula | C5H11Cl | Boiling Point | 98.3 °C at 760 mmHg |
Molecular Weight | 106.595 | Flash Point | 9.8 °C |
Transport Information | UN 1107 | Appearance | N/A |
Safety | 16-26-36 | Risk Codes | 11-36/37/38 |
Molecular Structure | Hazard Symbols | F,Xi | |
Synonyms |
(?à)-2-Chloropentane;1-Methylbutylchloride;2-Chloropentane;NSC 7899; |
Article Data | 54 |
This chemical is called Pentane, 2-chloro-, and its CAS registry number is 625-29-6. With the molecular formula of C5H11Cl, its product categories are Alkyl; Halogenated Hydrocarbons; Organic Building Blocks. In addition, this chemical should be sealed in the cool and dry place.
Other characteristics of the Pentane, 2-chloro- can be summarised as followings: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.91; (4)ACD/LogD (pH 7.4): 2.91; (5)ACD/BCF (pH 5.5): 95.96; (6)ACD/BCF (pH 7.4): 95.96; (7)ACD/KOC (pH 5.5): 912.8; (8)ACD/KOC (pH 7.4): 912.8; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.403; (13)Molar Refractivity: 30.02 cm3; (14)Molar Volume: 122.8 cm3; (15)Polarizability: 11.9×10-24cm3; (16)Surface Tension: 22.2 dyne/cm; (17)Density: 0.867 g/cm3; (18)Flash Point: 9.8 °C; (19)Enthalpy of Vaporization: 32.37 kJ/mol; (20)Boiling Point: 98.3 °C at 760 mmHg; (21)Vapour Pressure: 46.2 mmHg at 25°C.
Production method of this chemical: The Pentane, 2-chloro- could be obtained by the reactant of pentan-2-ol. This reaction needs the reagents of pyridine and thionyl chloride.
When you are using this chemical, please be cautious about it as the following: For this chemical is highly flammable, keep it away from the sources of ignition. It irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: ClC(C)CCC
2.InChI: InChI=1/C5H11Cl/c1-3-4-5(2)6/h5H,3-4H2,1-2H3
3.InChIKey: NFRKUDYZEVQXTE-UHFFFAOYAJ