1-Chloroheptane

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Names

[ CAS No. ]:
629-06-1

[ Name ]:
1-Chloroheptane

[Synonym ]:
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

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

[ Storage condition ]:
Flammables area

MSDS

Click to get detail MSDS

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Heptan-1-ol
Butylmagnesium chloride
1-Bromo-3-chloropropane
1,4-diheptylpiperazine
Heptanal
Octanoic acid
Heptane
1-Heptylamine
2-Amino-2-(4-chlorophenyl)acetic acid
Heptyl carbonochloridate

DownStream

1-Iodoheptane
Heptane
Hexamethyldistannane
trimethyl(n-heptyl)tin
Hept-1-ene
Tetradecane
Heptan-1-ol
Heptane, 1,1'-oxybis-
Octanal
4-decylmorpholine

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)