2-chloro-3-[(dimethoxyphosphoryl)oxy]-N,N-diethylbut-2-enamide

• ChemBase ID: 128950
• Molecular Formular: C10H19ClNO5P
• Molecular Mass: 299.688321
• Monoisotopic Mass: 299.06893702
• SMILES: CCN(CC)C(=O)/C(=C(\C)/OP(=O)(OC)OC)/Cl
• Canonical SMILES: CCN(C(=O)/C(=C(/OP(=O)(OC)OC)\C)/Cl)CC
• InChI: InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3
• InChIKey: RGCLLPNLLBQHPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-[(dimethoxyphosphoryl)oxy]-N,N-diethylbut-2-enamide
• IUPAC Traditional name: phosphamidon
• Synonyms: Dimecron; Phosphamidon; 2-Chloro-N,N-diethyl-3-(dimethylphosphono)crotonic amide; Phosphamidon; 2-氯-N,N-二乙基-3-(二甲基膦酰基)巴豆酰胺; 磷酰胺酮

Database IDs

• CAS Number: 13171-21-6
• EC Number: 236-116-5
• MDL Number: MFCD00055301
• Beilstein Number: 8323501
• PubChem SID: 162223252; 24869138; 24899251
• PubChem CID: 25750; 3032604
• KEGG ID: C18689
• Unique Ingredient Identifier: 7H857A6N6H
• Wikipedia Title: Phosphamidon

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8599075
• LogD (pH = 7.4): 0.8599082
• Log P: 0.8599082
• Molar Refractivity: 70.8298 cm^3
• Polarizability: 27.52651 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Miscible in water
• Melting Point: 120-123 °C
• Boiling Point: 162 °C (1.5 mmHg)
• Density: 1.2132 g/cm^3

Safety Information

• RTECS: TC2800000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 24-28-50/53-68
• Safety Statements: 23-36/37-45-60-61
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• LD50: 13 mg/kg (mouse, oral); 6 mg/kg (mouse, IV); 20 mg/kg (rat, oral); 26 mg/kg (rat, subcut.)
• GHS Hazard statements: H300-H311-H341-H410
• GHS Precautionary statements: P264-P273-P280-P301 + P310-P312-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 250 mg
• Empirical Formula (Hill Notation): C10H19ClNO5P

DETAILS

Sigma Aldrich - 45622

Legal Information
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