1,5-dichloropentane

• ChemBase ID: 109667
• Molecular Formular: C5H10Cl2
• Molecular Mass: 141.0389
• Monoisotopic Mass: 140.01595568
• SMILES: ClCCCCCCl
• Canonical SMILES: ClCCCCCCl
• InChI: InChI=1S/C5H10Cl2/c6-4-2-1-3-5-7/h1-5H2
• InChIKey: LBKDGROORAKTLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dichloropentane; tert-butyl N-(2-oxoethyl)carbamate
• IUPAC Traditional name: 1,5-dichloropentane; tert-butyl N-(2-oxoethyl)carbamate
• Synonyms: Pentamethylene dichloride; 1,5-Dichloropentane; 1,5-DICHLOROPENTANE; N-Boc-2-aminoacetaldehyde; 五亚甲基二氯; 1,5-二氯戊烷

Database IDs

• CAS Number: 89711-08-0; 628-76-2
• EC Number: 211-053-6
• MDL Number: MFCD00001017
• Beilstein Number: 1732340
• PubChem SID: 24894063; 162089312
• PubChem CID: 12353

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5223956
• LogD (pH = 7.4): 2.5223956
• Log P: 2.5223956
• Molar Refractivity: 34.7666 cm^3
• Polarizability: 13.615889 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -72 °C(lit.); -72°C
• Boiling Point: 182°C; 63-66 °C/10 mmHg(lit.)
• Flash Point: 26 °C; 26°C(78°F); 78.8 °F
• Density: 1.103; 1.106 g/mL at 25 °C(lit.)
• Refractive Index: 1.4570; n20/D 1.457; n20/D 1.457(lit.)

Safety Information

• RTECS: SA0350000
• European Hazard Symbols: Toxic (T); X
• UN Number: 1152; UN1152
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-22-36/37/38; 10-25-36/37/38
• Safety Statements: 23-26-36/37-60; 26-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H301-H315-H319-H335; H301-H315-H319-H335-H226
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1152 3/PG 3

Product Information

• Purity: ≥97.0% (GC); 98%; 99%
• Grade: purum
• Linear Formula: Cl(CH2)5Cl

DETAILS

MP Biomedicals - 05212097

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D69602

Packaging
25 g in glass bottle