(1,3-dioxo-2,3,4,5,6,7-hexahydro-1H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate

• ChemBase ID: 129804
• Molecular Formular: C19H25NO4
• Molecular Mass: 331.4061
• Monoisotopic Mass: 331.17835829
• SMILES: O=C1C2=C(C(=O)N1COC(=O)C1C(C=C(C)C)C1(C)C)CCCC2
• Canonical SMILES: O=C(C1C(C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2
• InChI: InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3
• InChIKey: CXBMCYHAMVGWJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,3-dioxo-2,3,4,5,6,7-hexahydro-1H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
• IUPAC Traditional name: tetramethrin
• Synonyms: Tetramethrin; Tetramethrin; 胺菊酯

Database IDs

• CAS Number: 7696-12-0
• EC Number: 231-711-6
• MDL Number: MFCD00084635
• Beilstein Number: 8807938
• PubChem SID: 24899093; 24869241; 162224092
• PubChem CID: 83975
• CHEBI ID: 39397
• ATC CODE: QP53AC13
• Chemspider ID: 75773
• KEGG ID: D07368
• Unique Ingredient Identifier: Z72930Q46K
• Wikipedia Title: Tetramethrin

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0898683
• LogD (pH = 7.4): 3.0898683
• Log P: 3.0898683
• Molar Refractivity: 90.1875 cm^3
• Polarizability: 35.11863 Å^3
• Polar Surface Area: 63.68 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65-80 °C

Safety Information

• RTECS: GZ1730000
• European Hazard Symbols: Nature polluting (N)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 50/53
• Safety Statements: 60-61
• GHS Pictograms: GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H410
• GHS Precautionary statements: P273-P501
• Personal Protective Equipment: Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 100 mg
• Empirical Formula (Hill Notation): C19H25NO4

DETAILS

Sigma Aldrich - 45681

Legal Information
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