2-methylprop-2-enoyl chloride

• ChemBase ID: 91436
• Molecular Formular: C4H5ClO
• Molecular Mass: 104.5349
• Monoisotopic Mass: 104.00289246
• SMILES: O=C(C(=C)C)Cl
• Canonical SMILES: CC(=C)C(=O)Cl
• InChI: InChI=1S/C4H5ClO/c1-3(2)4(5)6/h1H2,2H3
• InChIKey: VHRYZQNGTZXDNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylprop-2-enoyl chloride
• IUPAC Traditional name: methacryloyl chloride
• Synonyms: 2-Methylprop-2-enoyl chloride; Methacryloyl chloride 97%; methacryloyl chloride; 2-Methyl-2-propenoyl chloride; Methacryloyl chloride; 甲基丙烯酰氯

Database IDs

• CAS Number: 920-46-7
• EC Number: 213-058-9
• MDL Number: MFCD00000716
• Beilstein Number: 878175
• PubChem SID: 24874306; 162078135
• PubChem CID: 13528
• Wikipedia Title: Methacryloyl_chloride

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4618274
• LogD (pH = 7.4): 1.4618274
• Log P: 1.4618274
• Molar Refractivity: 25.507 cm^3
• Polarizability: 9.822731 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts in water
• Melting Point: -60°C; -60°C
• Boiling Point: 95-96 °C; 95-96 °C(lit.); 95-96°C; 95-96°C
• Flash Point: 12 °C; 12.8°C; 2°C(35°F); 53.6 °F
• Density: 1.07; 1.07 g/mL; 1.07 g/mL at 25 °C(lit.); 1.08 g/mL at 20 °C
• Refractive Index: 1.4440; n20/D 1.442(lit.); n20/D 1.444

Safety Information

• Storage Warning: Moisture Sensitive; Very Toxic/Flammable/Corrosive/Harmful/Lachrymatory/Moisture Sensitive/Store at -20°C
• RTECS: OZ5791000
• European Hazard Symbols: Flammable (F); Highly toxic (T+)
• UN Number: 3383; UN3383
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 1; I
• Risk Statements: 11-22-26-34; 11-22-26-34-43-52/53
• Safety Statements: 16-26-28-29-33-36/37/39-45; 16-26-28-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H330-H314-H318; H225-H302-H314-H317-H330-H412
• GHS Precautionary statements: P210-P260-P273-P280-P284-P305 + P351 + P338; P210-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P405-P501A
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3383 6.1/PG 1
• Storage Temperature: -20°C; 2-8°C

Product Information

• Purity: ≥97.0% (GC); 80%; 90%; 97%; 97%, stab. with ca 400ppm 4-methoxyphenol
• Grade: purum; technical grade
• Impurities: ≤1000 mg/kg total sulfur (as SO4)
• Contains: ~0.02% 2,6-di-tert-butyl-4-methylphenol as stabilizer; ~200 ppm monomethyl ether hydroquinone as stabilizer; 200 ppm phenothiazine as stabilizer
• Quality: dist.
• Linear Formula: CH2=C(CH3)COCl

DETAILS

Sigma Aldrich - 320374

Packaging
Packaged in poly-coated bottle

Sigma Aldrich - 523216

Packaging
1 L in Sure/Seal™
100 mL in Sure/Seal™