(2-chloroethyl)phosphonic acid

• ChemBase ID: 74889
• Molecular Formular: C2H6ClO3P
• Molecular Mass: 144.494001
• Monoisotopic Mass: 143.97430836
• SMILES: P(=O)(CCCl)(O)O
• Canonical SMILES: ClCCP(=O)(O)O
• InChI: InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)
• InChIKey: UDPGUMQDCGORJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloroethyl)phosphonic acid
• IUPAC Traditional name: ethephon
• Synonyms: Ethephon; (2-Chloroethyl)phosphonic acid, tech; Ethephon; Bromeflor; Arvest; Ethrel; Ethephon; 2-Chloroethanephosphonic acid; Clorethephon; 2-Chloroethylphosphonic acid; 2-Chloroethylphosphonic Acid; 2-CHLOROETHYLPHOSPHONIC ACID; 2-氯乙基磷酸; 乙烯利; 乙烯利; 2-氯乙基膦酸

Database IDs

• CAS Number: 16672-87-0
• EC Number: 240-718-3
• MDL Number: MFCD00002142
• Beilstein Number: 1751208
• Merck Index: 143732
• PubChem SID: 24868961; 162039807; 24892237
• PubChem CID: 27982
• CHEBI ID: 52741
• Chemspider ID: 26031
• KEGG ID: C18399
• Unique Ingredient Identifier: XU5R5VQ87S
• Wikipedia Title: Ethephon

CALCULATED PROPERTIES

• Acid pKa: 1.7906717
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.855479
• LogD (pH = 7.4): -2.9252143
• Log P: -0.56566983
• Molar Refractivity: 26.6451 cm^3
• Polarizability: 10.775044 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 123.9 g/100 ml at 23 C in water
• Melting Point: 70-72 °C(lit.); 70-72°C; 74°C; ca 65-75°C
• Density: 1.409 g/cm3
• Vapor Pressure: <0.01 mPa at 20 °C

Safety Information

• Storage Condition: 2-8°C, Desiccate
• Storage Warning: Hygroscopic; Toxic/Corrosive/Very Hygroscopic/Keep Cold/Store under Argon
• RTECS: SZ7100000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 1759; 2928; UN2928
• German water hazard class: 2
• Hazard Class: 6.1; 8
• Packing Group: 2; II
• Australian Hazchem: 2X
• Risk Statements: 20/21-34-52/53; R:20/21-34-52/53
• Safety Statements: 1/2-26-28-36/37/39-45-61; 26-28-36/37/39-45-61; S:26-28-45-61-36/37/39
• EU Classification: C10
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• Main Hazard: Corrosive
• GHS Hazard statements: H312-H314-H332-H412; H314-H312-H332-H412
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P273-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2928 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥96% (titration); tech. 90%
• Grade: PESTANAL®, analytical standard
• Linear Formula: ClCH2CH2P(O)(OH)2

DETAILS

MP Biomedicals - 02154967

Crystalline

Sigma Aldrich - C0143

包装
1 g in glass bottle
100, 500 mg in glass bottle

Sigma Aldrich - 45473

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH