CAS 111-85-3 1-Chlorooctane - Materials / Alfa Chemistry

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1-Chlorooctane

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Catalog Number

ACM111853

Product Name

1-Chlorooctane

Structure

CAS

111-85-3

Category

Solubility Enhancing Reagents

Description

Liquid

IUPAC Name

1-chlorooctane

Molecular Weight

148.67g/mol

Molecular Formula

C8H17Cl

Canonical SMILES

CCCCCCCCCl

InChI

InChI=1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3

InChI Key

CNDHHGUSRIZDSL-UHFFFAOYSA-N

Boiling Point

181.5 °C;181.5 °C @ 760 MM HG

Melting Point

-57.8 °C;-57.8 °C

Flash Point

158 °F

Density

0.8738 @ 20 °C/4 °C

Solubility

3.29e-05 M;INSOL IN WATER; VERY SOL IN ALCOHOL, ETHER; SLIGHTLY SOLUBLE IN CARBON TETRACHLORIDE;SOL IN MOST ORG SOLVENTS

Color/Form

COLORLESS LIQUID

Complexity

43.8

Covalently-Bonded Unit Count

EC Number

203-915-5

Exact Mass

148.101878g/mol

Formal Charge

Hazard Statements

H319

Heat of Vaporization

12.73 kcal/mol at 25 °C

Heavy Atom Count

Log P

Log P= 4.73

Monoisotopic Mass

148.101878g/mol

NSC Number

5406

Refractive Index

INDEX OF REFRACTION: 1.4305 @ 20 °C/D

Rotatable Bond Count

UNII

E1047328LO

Vapor Pressure

0.95 mmHg;0.95 mm Hg at 25 °C

XLogP3

4.7

MSDS

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COA

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Spec Sheet

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