6-chlorohexan-1-ol

• ChemBase ID: 7675
• Molecular Formular: C6H13ClO
• Molecular Mass: 136.61982
• Monoisotopic Mass: 136.06549272
• SMILES: C(CCCO)CCCl
• Canonical SMILES: OCCCCCCCl
• InChI: InChI=1S/C6H13ClO/c7-5-3-1-2-4-6-8/h8H,1-6H2
• InChIKey: JNTPTNNCGDAGEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chlorohexan-1-ol
• IUPAC Traditional name: 1-hexanol, 6-chloro-
• Synonyms: 6-Chloro-1-hexanol; 6-CHLOROHEXYL CYANIDE; 1-Chloro-6-hydroxyhexane; Hexamethylene chlorohydrin; 6-Chlorohexan-1-ol 97+%; 1-Chloro-6-hydroxyhexane; 6-Chlorohexanol; 6-chlorohexan-1-ol; 6-氯-1-己醇; 1-氯-6-羟基己烷; 6-氯己醇

Database IDs

• CAS Number: 2009-83-8
• EC Number: 217-925-2
• MDL Number: MFCD00002984
• Beilstein Number: 1697307
• PubChem SID: 24892697; 160970982
• PubChem CID: 74828

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6123725
• LogD (pH = 7.4): 1.6123725
• Log P: 1.6123725
• Molar Refractivity: 36.3166 cm^3
• Polarizability: 14.232541 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 108-112 °C/14 mmHg(lit.); 108-112°C/14mm; 109-111°C/14mm
• Flash Point: 210.2 °F; 98°C(208°F); 99 °C; 99°C
• Density: 1.024; 1.024 g/mL at 20 °C(lit.); 1.024 g/mL at 25 °C(lit.); 1.027
• Refractive Index: 1.4560; n20/D 1.455; n20/D 1.456(lit.)
• Hydrophobicity(logP): 1.594

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• RTECS: MO9160000
• European Hazard Symbols: X; Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21-36/38; 22-36/38; R:36/37/38
• Safety Statements: 23-26-36/37; 26-36/37; S:20-25-26-37/39
• TSCA Listed: true; 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319; H312-H315-H319-H332
• GHS Precautionary statements: P280-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95.0% (GC); 95%; 96%; 97%
• Grade: purum
• Linear Formula: Cl(CH2)6OH

DETAILS

MP Biomedicals - 05203221

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C45008

Packaging
5, 25 g in glass bottle