2-chloroethyl 2-methylprop-2-enoate

• ChemBase ID: 109790
• Molecular Formular: C6H9ClO2
• Molecular Mass: 148.58746
• Monoisotopic Mass: 148.02910721
• SMILES: CC(=C)C(=O)OCCCl
• Canonical SMILES: CC(=C)C(=O)OCCCl
• InChI: InChI=1S/C6H9ClO2/c1-5(2)6(8)9-4-3-7/h1,3-4H2,2H3
• InChIKey: GPOGMJLHWQHEGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloroethyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2-chloroethyl 2-methylprop-2-enoate
• Synonyms: 2-CHLOROETHYL METHACRYLATE; Methacrylic acid 2-chloroethyl ester; 2-Chloroethyl methacrylate; 2-氯乙基甲基丙烯酸酯 97%, 500ppm 氢醌稳定剂

Database IDs

• CAS Number: 1888-94-4
• EC Number: 217-566-1
• MDL Number: MFCD00045291
• Beilstein Number: 956599
• PubChem SID: 162095355
• PubChem CID: 15905

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.972215
• LogD (pH = 7.4): 1.972215
• Log P: 1.972215
• Molar Refractivity: 35.7609 cm^3
• Polarizability: 14.18066 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 170°C
• Flash Point: 69°C(156°F)
• Refractive Index: 1.4510

Safety Information

• RTECS: OZ3855000
• European Hazard Symbols: Toxic (T)
• UN Number: UN2810
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 23/25-36/37/38
• Safety Statements: 26-36/37-45
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H330-H315-H319-H335-H227
• GHS Precautionary statements: P210-P301+P310-P304+P340-P305+P351+P338-P320-P330-P405-P501A

Product Information

• Purity: 97%, stab. with 500ppm hydroquinone

DETAILS

MP Biomedicals - 05212591

MP Biomedicals Rare Chemical collection