(2-chloroethoxy)benzene

• ChemBase ID: 92302
• Molecular Formular: C8H9ClO
• Molecular Mass: 156.60946
• Monoisotopic Mass: 156.03419259
• SMILES: O(c1ccccc1)CCCl
• Canonical SMILES: ClCCOc1ccccc1
• InChI: InChI=1S/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
• InChIKey: VQUYNUJARXBNPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloroethoxy)benzene
• IUPAC Traditional name: benzene, (2-chloroethoxy)-
• Synonyms: β-Chlorophenetole; 2-Chloroethyl phenyl ether; (2-Chloroethoxy)benzene; omega-CHLOROPHENETOL; 1-Chloro-2-phenoxyethane; 2-Phenoxyethyl Chloride; 1-Phenoxy-2-chloroethane; NSC 1073; Phenyl 2-Chloroethyl Ether; 2-Phenoxyethyl chloride; beta-Chlorophenetole; 2-Phenoxyethyl chloride; (2-Chloroethoxy)benzene; β-氯苯乙醚; 2-氯乙基苯基醚; (2-氯乙氧基)苯; 2-苯氧基乙基氯

Database IDs

• CAS Number: 622-86-6
• EC Number: 210-757-0
• MDL Number: MFCD00018946
• Beilstein Number: 971048
• PubChem SID: 24847162; 24854775; 162079000
• PubChem CID: 12156

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4800644
• LogD (pH = 7.4): 2.4800644
• Log P: 2.4800644
• Molar Refractivity: 41.8645 cm^3
• Polarizability: 16.503422 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Pale Yellow Oil
• Melting Point: 23-25°C
• Boiling Point: 88-93°C/15mm; 97-98 °C/15 mmHg(lit.)
• Flash Point: 101 °C; 109°C(228°F); 213.8 °F
• Density: 1.129 g/mL at 25 °C(lit.); 1.140
• Refractive Index: 1.5335; n20/D 1.534(lit.); n20/D 1.536

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 23-26-37; 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); 95+%; 97%; 98%
• Grade: purum
• Linear Formula: C6H5OCH2CH2Cl

DETAILS

MP Biomedicals - 05220405

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 114278

Packaging
10 mL in glass bottle