CAS 629-06-1|1-Chloroheptane

Introduction：Basic information about CAS 629-06-1|1-Chloroheptane, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Safety Information
4. Articles2
5. Synonyms

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	ChineseUSA	Flash Point	41.7±0.0 °C
Symbol	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
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

Articles2

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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