prop-2-enoyl chloride

• ChemBase ID: 125621
• Molecular Formular: C3H3ClO
• Molecular Mass: 90.50832
• Monoisotopic Mass: 89.9872424
• SMILES: ClC(=O)C=C
• Canonical SMILES: ClC(=O)C=C
• InChI: InChI=1S/C3H3ClO/c1-2-3(4)5/h2H,1H2
• InChIKey: HFBMWMNUJJDEQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: prop-2-enoyl chloride
• IUPAC Traditional name: acryloyl chloride
• Synonyms: Acryloyl chloride; Propenoyl chloride; 2-Propenoyl chloride; Acryloyl chloride; Acryloylchloride; 氯化丙烯酸; 丙烯酰氯

Database IDs

• CAS Number: 814-68-6
• EC Number: 212-399-0
• MDL Number: MFCD00000731
• Beilstein Number: 635744
• PubChem SID: 24845195; 24890654; 24874724; 162219971
• PubChem CID: 13140; 399362
• Chemspider ID: 12588
• Wikipedia Title: Acryloyl_chloride

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0662769
• LogD (pH = 7.4): 1.0662769
• Log P: 1.0662769
• Molar Refractivity: 21.1499 cm^3
• Polarizability: 8.0027 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: N/A
• Boiling Point: 72-76 °C(lit.); 74-76°C; 75.0 °C
• Flash Point: 14 °C; -4°C(24°F); 57.2 °F
• Density: 1.114; 1.114 g/mL at 25 °C(lit.); 1.119 g/cm3; 1.119 g/mL at 20 °C
• Refractive Index: 1.4350; n20/D 1.435; n20/D 1.435(lit.)
• Vapor Pressure: 1.93 psi ( 20 °C)
• Vapor Density: >1 (vs air)

Safety Information

• Storage Warning: Moisture & Light Sensitive
• RTECS: AT7350000
• European Hazard Symbols: Flammable (F); Highly toxic (T+)
• UN Number: 3383; UN3383
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1; I
• Risk Statements: 11-14-22-26-34; 11-14-26-34
• Safety Statements: 16-26-28-36/37/39-45; 7/9-16-26-28-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H330-H314-H318; H225-H314-H330
• GHS Precautionary statements: P210-P260-P280-P284-P305 + P351 + P338-P310; 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: 2-8°C

Product Information

• Purity: ≥96.0% (HPLC); ≥97%; 96%, stab. with 400ppm phenothiazine; 97%; 97.0%
• Grade: purum
• Contains: ~0.05% phenothiazine as stabilizer; ~400 ppm phenothiazine as stabilizer; <210 ppm MEHQ as stabilizer
• Shipped in: wet ice
• Linear Formula: CH2=CHCOCl

DETAILS

Sigma Aldrich - 549797

Packaging
5, 500 g in glass bottle

Sigma Aldrich - A24109

Packaging
1 kg in glass bottle
5, 100, 500 g in glass bottle