Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-cis)- supplier

Name
3-phenoxybenzyl (1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate
EINECS
CAS No. 55700-98-6
Article Data2
CAS DataBase
Density 1.568g/cm³
Solubility
Melting Point
Formula C₂₁H₂₀Br₂O₃
Boiling Point 491°Cat760mmHg
Molecular Weight 480.23
Flash Point 250.8°C
Transport Information
Appearance
Safety A poison by intravenous and intracerebral routes. When heated to decomposition it emits toxic vapors of Br⁻.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
PSA
LogP

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 .

Product Name

3-phenoxybenzyl (1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate

Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-cis)- Chemical Properties

Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-cis)- Toxicity Data With Reference

Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-cis)- Safety Profile

Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-cis)- Specification

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