cyano(3-phenoxyphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate

• ChemBase ID: 126828
• Molecular Formular: C23H19ClF3NO3
• Molecular Mass: 449.8500696
• Monoisotopic Mass: 449.10055581
• SMILES: Cl/C(=C\C1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)/C(F)(F)F
• Canonical SMILES: N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl
• InChI: InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3
• InChIKey: ZXQYGBMAQZUVMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyano(3-phenoxyphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate
• IUPAC Traditional name: cyano(3-phenoxyphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate
• Synonyms: Cyhalothrine; Cyhalothrin; Cyhalothrin solution; 三氟氯氰菊酯 溶液

Database IDs

• CAS Number: 68085-85-8
• MDL Number: MFCD00144031
• PubChem SID: 162221155
• PubChem CID: 5281873
• ATC CODE: QP53AC06
• Chemspider ID: 4445166
• KEGG ID: C10983
• Unique Ingredient Identifier: V0V73PEB8M
• Wikipedia Title: Cyhalothrin

CALCULATED PROPERTIES

• Acid pKa: 10.619197
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.677481
• LogD (pH = 7.4): 5.6772227
• Log P: 5.6774845
• Molar Refractivity: 110.0142 cm^3
• Polarizability: 41.654907 Å^3
• Polar Surface Area: 59.32 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 2 °C; 35.6 °F

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1648
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-20/21/22-36-52/53
• Safety Statements: 16-26-36/37-61
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H312-H319-H332-H412
• GHS Precautionary statements: P210-P273-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1648 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 100 ng/μL in acetonitrile
• Grade: PESTANAL®, analytical standard

DETAILS

Sigma Aldrich - 36996

Legal Information
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