1-Chloroheptane

Modify Date: 2025-08-25 08:06:22

1-Chloroheptane Structure
1-Chloroheptane structure
Common Name 1-Chloroheptane
CAS Number 629-06-1 Molecular Weight 134.647
Density 0.9±0.1 g/cm3 Boiling Point 158.8±3.0 °C at 760 mmHg
Molecular Formula C7H15Cl Melting Point −69 °C(lit.)
MSDS Chinese USA Flash Point 41.7±0.0 °C
Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning

 Names

Name 1-Chloroheptane
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 158.8±3.0 °C at 760 mmHg
Melting Point −69 °C(lit.)
Molecular Formula C7H15Cl
Molecular Weight 134.647
Flash Point 41.7±0.0 °C
Exact Mass 134.086227
LogP 4.16
Vapour Pressure 3.3±0.3 mmHg at 25°C
Index of Refraction 1.420
InChIKey DZMDPHNGKBEVRE-UHFFFAOYSA-N
SMILES CCCCCCCCl
Storage condition Flammables area

 Safety Information

Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning
Hazard Statements H226-H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xi:Irritant;
Risk Phrases R10;R36/37/38
Safety Phrases S26-S36-S61
RIDADR UN 1993 3/PG 3
WGK Germany 3
Packaging Group III
Hazard Class 3

 Synthetic Route

 Articles2

More Articles
QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

Eur. J. Med. Chem. 43 , 714-40, (2008)

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 org...

Barnes JH, et al.

J. Anal. At. Spectrom. 19(6) , 751-756, (2004)

 Synonyms

1-heptylchloride
1-chloro-heptane
Heptane, 1-chloro-
n-Heptyl chloride
1-chloranylheptane
Heptane,1-chloro
EINECS 211-070-9
Heptyl chloride
1-Chloroheptane
Heptane,chloro
chloroheptane
normal-Heptyl chloride
MFCD00001021
n-chloroheptane
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