Barthrin
Basic information
- CAS
70-43-9- Standard SMILES
CC(C)=CC1C(C(=O)OCc2cc3c(cc2Cl)OCO3)C1(C)C- InChIKey
KPMWGGRSOPMANK-UHFFFAOYSA-N- Molecular formula
- C18H21ClO4
- Average molar mass
- 336.8 g/mol
- Monoisotopic mass
- 336.1128368
Names & identifiers
- Preferred name
- Barthrin
- IUPAC
- (6-chloro-1,3-benzodioxol-5-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
- English name
- (6-chlorobenzo[1,3]dioxol-5-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-e nyl)cyclopropane-1-carboxylate
- Molecular formula
- C18H21ClO4
- Molecular weight
- 336.81
Names & synonyms
Barthrin70-43-96-Chloropiperonyl chrysanthemumateCaswell No. 071AA6-Chloropiperonyl chrysanthemummateENT-21557UNII-13MC4DQK6ZChrysanthemumic acid 6-chloropiperonyl esterNSC 14343EPA Pesticide Chemical Code 218400AI3-215576-Chloropiperonyl ester of chrysanthemummonocarboxylic acid
Show more names
(6-Chloro-1,3-benzodioxol-5-yl)methyl2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate(6-chlorobenzo[1,3]dioxol-5-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-e nyl)cyclopropane-1-carboxylateCyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (6-chloro-1,3-benzodioxol-5-yl)methyl ester
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (6-chloro-1,3-benzodioxol-5-yl)methyl ester13MC4DQK6Z6-Chloropiperonyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylateChrysanthemummonocarboxylic acid 6-chloropiperonyl esterDTXSID80416182,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid,Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-,NSC-14343
Database identifiers
- CAS
70-43-9- PubChem CID
- 6266
- DTXSID
DTXSID8041618- ChEMBL
CHEMBL2003314- Nikkaji
- J5.245K
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 497
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 0.2 · bp0.2 155-171°; bp0.7 184-206°
- Density
- 1.269 · 1.269±0.06 g/cm3(Predicted)
- refractive index
- 25 · nD25 1.5383
- FDA UNII
- 13 MC4DQK6Z · 13MC4DQK6Z
- EPA Substance Registry System
- Barthrin (70-43-9)
Chemistry & industry
Applications
UsesInsecticide.
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Related reactions
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Compound notes
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