CAS 629-06-1 1-Chloroheptane (HCID 12371)

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Basic information

CAS: 629-06-1
Standard SMILES: CCCCCCCCl
InChIKey: DZMDPHNGKBEVRE-UHFFFAOYSA-N
Molecular formula: C7H15Cl
Average molar mass: 134.65 g/mol
Monoisotopic mass: 134.08622816

Overview

1-chloroheptane is a colorless liquid. Insoluble in water.

Names & identifiers

Preferred name: 1-Chloroheptane
IUPAC: 1-chloroheptane
English name: 1-Chloroheptane
Molecular formula: C7H15Cl
Molecular weight: 134.65

Names & synonyms

1-CHLOROHEPTANE629-06-1Heptyl chlorideHeptane, 1-chloro-n-Heptyl chloride1-chloro-heptaneMFCD00001021chloroheptane2F3Z1E37X5UNII-2F3Z1E37X5EINECS 211-070-9normal-Heptyl chloride

Show more names

1-Chloroheptane >1-Chloroheptane,97%Chlorinated n-heptane1-Chloroheptane, 97% 25MLPaliperidone Impurity 19-d41-CHLOROHEPTANE FOR SYNTHESIS

1-Chloroheptane, 99%SCHEMBL44335SCHEMBL44534SCHEMBL613389orb3023458SCHEMBL5424360SCHEMBL6841419SCHEMBL8922111

Database identifiers

CAS: 629-06-1
PubChem CID: 12371
DTXSID: DTXSID4060864
ChEMBL: CHEMBL1797136
UNII: 2F3Z1E37X5
EC Number: 211-070-9
Nikkaji: J1.700K

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 5
Heavy atoms: 8
Formal charge: 0
Complexity: 35.4

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesBoiling point

LogP4.15

Physical Description · 2 items

1-chloroheptane is a colorless liquid. Insoluble in water.

Colorless liquid; [CAMEO]

Physicochemical properties

Melting point: -69 °C · -69 °C (lit.)
Boiling point: 159 · 159-161 °C (lit.)
Density: 0.881 g/mL · 0.881 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.425(lit.)
Flash point: 107 °F · 107 °F
storage temp.: Flammables area
form: clear liquid
color: Colorless to Almost colorless

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 71 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information1-Chloroheptane: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCombustible Liquid

Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See n-Butyl chloride. See 1-Chlorohexane.

Reactive GroupHalogenated Organic Compounds

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationHeptane, 1-chloro-: ACTIVE

Applications

Uses1-Chloroheptane was used in the coupling of a GC to the ICP-MHMS-FPC for the determination of halogenated hydrocarbons and organometallic species.

General DescriptionColorless liquid. Insoluble in water.