2-chloro-2-methylbutane

• ChemBase ID: 106701
• Molecular Formular: C5H11Cl
• Molecular Mass: 106.59384
• Monoisotopic Mass: 106.05492803
• SMILES: CCC(C)(C)Cl
• Canonical SMILES: CCC(Cl)(C)C
• InChI: InChI=1S/C5H11Cl/c1-4-5(2,3)6/h4H2,1-3H3
• InChIKey: CRNIHJHMEQZAAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-2-methylbutane
• IUPAC Traditional name: tert-amyl chloride
• Synonyms: tert-AMYL CHLORIDE; tert-Amyl chloride; tert-Pentyl chloride; 2-Chloro-2-methylbutane; 1,1-Dimethylpropyl chloride; 2-Methyl-2-chlorobutane; tert-Amyl chloride; tert-Pentyl chloride; t-Pentyl chloride; 2-甲基-2-氯丁烷; 叔戊基氯; 氯化叔戊烷; 2-氯代-2-甲基丁烷; 2-氯-2-甲基丁烷

Database IDs

• CAS Number: 594-36-5
• EC Number: 209-836-2
• MDL Number: MFCD00000818
• Beilstein Number: 1696930
• PubChem SID: 24855104; 24856728; 162094529
• PubChem CID: 61143
• Chemspider ID: 55090
• Wikipedia Title: Tert-Amyl_chloride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4124968
• LogD (pH = 7.4): 2.4124968
• Log P: 2.4124968
• Molar Refractivity: 29.6419 cm^3
• Polarizability: 11.755164 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -73 °C(lit.); -73°C; -73°C
• Boiling Point: 85 - 86°C; 85-86 °C(lit.); 85-86°C
• Flash Point: -10 °C; -10°C(14°F); 14 °F
• Density: 0.866; 0.866 g/mL; 0.866 g/mL at 25 °C(lit.)
• Refractive Index: 1.4042; n20/D 1.405; n20/D 1.405(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993; UN1107
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11; 11-36/37/38
• Safety Statements: 16-26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225; H225-H315-H319-H335
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A; P210-P261-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 1993 3/PG 2

Product Information

• Purity: ≥96.0% (GC); 95%; 98%
• Grade: purum
• Linear Formula: C2H5C(CH3)2Cl

DETAILS

Sigma Aldrich - 277029

Packaging
25, 100 g in glass bottle