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Cas Database |
| Name |
Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-cis)- |
EINECS | N/A |
| CAS No. | 55700-98-6 | Density | 1.568g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C21H20Br2O3 | Boiling Point | 491°Cat760mmHg |
| Molecular Weight | 480.23 | Flash Point | 250.8°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intravenous and intracerebral routes. When heated to decomposition it emits toxic vapors of Br−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Article Data | 2 |
Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-cis)- Chemical Properties
Product Name: Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-cis)- (CAS NO.55700-98-6)
Molecular Formula: C21H20Br2O3
Molecular Weight: 480.23g/mol
Mol File: 55700-98-6.mol
Boiling point: 491 °C at 760 mmHg
Flash Point: 250.8 °C
Density: 1.568 g/cm3
Surface Tension: 55.2 dyne/cm
Enthalpy of Vaporization: 75.77 kJ/mol
Vapour Pressure: 8.69E-10 mmHg at 25°C
XLogP3-AA: 6.6
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (3-
phenoxyphenyl)methyl ester, (1R-cis)- (CAS NO.55700-98-6):
IUPAC Name: (3-phenoxyphenyl)methyl(1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Canonical SMILES: CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C
Isomeric SMILES: CC1([C@@H]([C@@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C
InChI: InChI=1S/C21H20Br2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m1/s1
InChIKey: GNJFNKNVSCTPDC-IEBWSBKVSA-N
Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-cis)- Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intracrebral | 27300ug/kg (27.3mg/kg) | Pesticide Biochemistry and Physiology. Vol. 24, Pg. 200, 1985. | |
| rat | LD | intravenous | > 30mg/kg (30mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: REGIDITY BEHAVIORAL: AGGRESSION | Archives of Toxicology. Vol. 45, Pg. 325, 1980. |
Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-cis)- Safety Profile
A poison by intravenous and intracerebral routes. When heated to decomposition it emits toxic vapors of Br−.
Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-cis)- Specification
Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-cis)- ,its CAS NO. is 55700-98-6,the synonyms is NRDC 157 ; RU 23603 .
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