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109746

Sigma-Aldrich

1-Chloroheptane

99%

Sinónimos:

Heptyl chloride

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About This Item

Fórmula lineal:
CH3(CH2)6Cl
Número de CAS:
629-06-1
Peso molecular:
134.65
Beilstein/REAXYS Number:
1697159
EC Number:
211-070-9
MDL number:
MFCD00001021
UNSPSC Code:
12352100
PubChem Substance ID:
24846934
NACRES:
NA.22

assay

99%

refractive index

n20/D 1.425 (lit.)

bp

159-161 °C (lit.)

mp

−69 °C (lit.)

density

0.881 g/mL at 25 °C (lit.)

SMILES string

CCCCCCCCl

InChI

1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3

Inchi Key

DZMDPHNGKBEVRE-UHFFFAOYSA-N

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Application

1-Chloroheptane was used in the coupling of a GC to the ICP-MHMS-FPC for the determination of halogenated hydrocarbons and organometallic species.

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

100.4 °F - closed cup

flash_point_c

38 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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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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