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Home › Product Catalog › 1-Chlorooctane

1-Chlorooctane

CAS 111-85-3C8H17ClMW 148.67

1-Chlorooctane (CAS 111-85-3) — formula C8H17Cl, molecular weight 148.67; category organic chemicals.

Specifications

CAS Number111-85-3
Molecular FormulaC8H17Cl
Molecular Weight148.67
Melting Point-57.8 °C
Boiling Point181.5 °C @ 760 MM HG
LogPLog P= 4.73
CategoryOrganic Chemicals

Purchase Profile

What this product is

1-Chlorooctane is a carbon-based organic compound with CAS registry number 111-85-3 and molecular formula C8H17Cl (molecular weight 148.67), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 111-85-3

Its molecular formula C8H17Cl comprises 8 C, 17 H, 1 Cl atoms.

Also known as: 1-Chlorooctane · Chlorooctane

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 1-Chlorooctane?

The CAS registry number of 1-Chlorooctane is 111-85-3.

What is the molecular formula and molecular weight of 1-Chlorooctane?

Molecular formula C8H17Cl, molecular weight 148.67.

What other names is 1-Chlorooctane known by?

It is also registered under: 1-Chlorooctane, Chlorooctane.

Which category does 1-Chlorooctane belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for 1-Chlorooctane (CAS 111-85-3), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statementsH304 (56.6%), H400 (86.9%), H410 (47.5%), H411 (55.1%), H227

H304 (56.6%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

H400 (86.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Physical description and handling notes

  • Liquid
  • Colorless liquid; [HSDB]
  • COLORLESS LIQUID
  • INSOL IN WATER; VERY SOL IN ALCOHOL, ETHER; SLIGHTLY SOLUBLE IN CARBON TETRACHLORIDE
  • SOL IN MOST ORG SOLVENTS
  • At standard state = -1269.3 kcal/mol at 25 °C, as a liquid.

Reported physical properties

沸点181.5 °C @ 760 MM HG
熔点-57.8 °C
闪点70 °C
闪点158 °F
密度0.8738 @ 20 °C/4 °C
蒸气压0.95 [mmHg]
蒸气压0.95 mm Hg at 25 °C
LogPLog P= 4.73
LogP4.73
Heat of Vaporization12.73 kcal/mol at 25 °C

How this substance is indexed

CAS Registry Number111-85-3
PubChem CID8142
分子式C8H17Cl
IUPAC 名称1-chlorooctane
UNII（FDA）E1047328LO

Documented uses

  • Used to make organometallics, as an alkylating agent in organic synthesis, and as a stabilizer for dibutylmagnesium; [HSDB]
  • CHEMICAL INT; IN MFR OF ORGANOMETALLICS
  • CHEM INT FOR OCTYLDIALKYLAMINES & OCTYL QUATERNARY AMINES
  • Used as a chemical intermediate for the synthesis of dimethyldioctylammonium chloride; tetra-n-octyltin.
  • 1-Chlorooctane is used as a stabilizer for dibutylmagnesium (or n-butyl-sec-butylmagnesium).
  • n-Octanol + hydrogen chloride, anhydrous (alcohol chlorination)

Names this substance appears under

1-CHLOROOCTANE; 111-85-3; Octyl chloride; n-Octyl chloride; Octane, 1-chloro-; Capryl chloride; 1-Octyl chloride; DTXSID0021543; HSDB 5551; NSC 5406; NSC-5406; EINECS 203-915-5; E1047328LO; 1-CHLOROOCTANE [HSDB]; DTXCID501543; EC 203-915-5

Computed molecular descriptors

分子量148.67
XLogP34.7
氢键供体数0
氢键受体数0
可旋转键数6
精确质量148.1018782
单同位素质量148.1018782
拓扑极性表面积0
重原子数9
形式电荷0

Database abstract

1-Chlorooctane · CAS 111-85-3 · C8H17Cl. UNII E1047328LO. 沸点: 181.5 °C @ 760 MM HG; 熔点: -57.8 °C; 闪点: 70 °C.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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