(1-chloro-2-methylprop-1-en-1-yl)dimethylamine

• ChemBase ID: 146167
• Molecular Formular: C6H12ClN
• Molecular Mass: 133.61918
• Monoisotopic Mass: 133.06582707
• SMILES: CC(=C(N(C)C)Cl)C
• Canonical SMILES: CN(C(=C(C)C)Cl)C
• InChI: InChI=1S/C6H12ClN/c1-5(2)6(7)8(3)4/h1-4H3
• InChIKey: GQIRIWDEZSKOCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-chloro-2-methylprop-1-en-1-yl)dimethylamine
• IUPAC Traditional name: (1-chloro-2-methylprop-1-en-1-yl)dimethylamine
• Synonyms: Ghosez′s reagent; 1-Chloro-N,N,2-trimethyl-1-propenylamine; 1-Chloro-N,N,2-trimethyl-1-propenylamine; Ghosez 试剂; 1-氯-N,N,2-三甲基-1-丙烯胺

Database IDs

• CAS Number: 26189-59-3
• MDL Number: MFCD00800562
• PubChem SID: 162240366; 24873186
• PubChem CID: 640792

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1278205
• LogD (pH = 7.4): 2.1361442
• Log P: 2.1362514
• Molar Refractivity: 48.486 cm^3
• Polarizability: 14.5036 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 129-130 °C(lit.)
• Flash Point: 26 °C; 78.8 °F
• Density: 1.01 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.453(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 1
• Risk Statements: 10-34
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2734 8/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: 96%
• Linear Formula: (CH3)2C=C(Cl)N(CH3)2

DETAILS

Sigma Aldrich - 498270

Application
Conversion of carboxylic acids to acid chlorides under neutral reaction conditions
Packaging
5, 50 mL in glass bottle