82149
1-Chloropropane
purum, ≥97.0% (GC)
Synonym(s):
Propyl chloride
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About This Item
Linear Formula:
CH3CH2CH2Cl
CAS Number:
Molecular Weight:
78.54
EC Number:
208-749-7
UNSPSC Code:
12352100
MDL number:
Beilstein/REAXYS Number:
1730771
vapor density
2.71 (vs air)
vapor pressure
5.51 psi ( 20 °C)
grade
purum
assay
≥97.0% (GC)
autoignition temp.
968 °F
expl. lim.
11 %
refractive index
n20/D 1.388
bp
46-47 °C (lit.)
mp
−123 °C (lit.)
density
0.892 g/mL at 25 °C (lit.)
SMILES string
CCCCl
InChI
1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3
InChI key
SNMVRZFUUCLYTO-UHFFFAOYSA-N
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A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the
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