Pyraclostrobin
Properties
- Molecular formula
- C19H18ClN3O4
- Molar mass
- 387.82 g/mol
- Exact mass
- 387.0986 Da
- Water solubility
- 1.9 mg/L (20 °C)
- logP
- 4.24Crippen estimate
- Polar surface area
- 65.8 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 6
Hazards
Danger
- H302 Harmful if swallowedAcute toxicity, oral
- H315 Causes skin irritationSkin corrosion/irritation
- H331 Toxic if inhaledAcute toxicity, inhalation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
- H361d Suspected of damaging the unborn childReproductive toxicity
- H373 May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 613-272-00-6), via PubChem.
Precautionary statements
P203, P260, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P316, P318, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
175013-18-0SMILES
COC(=O)N(OC)c1ccccc1COc1ccn(-c2ccc(Cl)cc2)n1InChIKey
HZRSNVGNWUDEFX-UHFFFAOYSA-NInChI
InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.44 (m, J = 7.7 Hz, 2H), 7.41 (dd, J = 7.7, 1.6 Hz, 1H), 7.39 (m, J = 7.7 Hz, 2H), 7.27 (d, J = 2.2 Hz, 1H), 7.22 (m, J = 7.7, 1.6 Hz, 1H), 7.22 (m, J = 7.7, 1.6 Hz, 1H), 7.01 (td, J = 7.7, 1.6 Hz, 1H), 5.74 (d, J = 2.2 Hz, 1H), 5.09 (s, 2H), 3.67 (s, 3H), 3.30 (s, 3H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 170.1, 156.3, 138.7, 136.6, 132.7, 132.0, 130.3, 129.7, 127.7, 127.1, 124.1, 121.5, 120.4, 90.7, 74.8, 54.2, 46.7.[M + H]+
[M + H]+ Calcd for C19H19ClN3O4 388.1059[M + Na]+
[M + Na]+ Calcd for C19H18ClN3NaO4 410.0878[M − H]−
[M − H]− Calcd for C19H17ClN3O4 386.0913Elemental analysis
Anal. Calcd for C19H18ClN3O4: C, 58.84; H, 4.68; N, 10.84.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
19 names · show all
- Carbamic acid, N-[2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]-N-methoxy-, methyl ester
- Carbamic acid, [2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]methoxy-, methyl ester
- BAS 500F
- F 500 (Fungicide)
- F 500
- Cabrio
- Headline
- Comet
- Stamina
- Insignia SC intrinsic
- Insignia SC
- Insignia
- Kai run
- Headline SC
- Comet 200
- Acceleron DX 109
- Cabrio EG
- Insignia 20 WG
- Pyraclostrobine