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55700-98-6

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Basic Information
CAS No.: 55700-98-6
Name: 3-phenoxybenzyl (1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate
Article Data: 2
Molecular Structure:
Molecular Structure of 55700-98-6 (3-phenoxybenzyl (1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate)
Formula: C21H20Br2O3
Molecular Weight: 480.23
Density: 1.568g/cm3
Boiling Point: 491°Cat760mmHg
Flash Point: 250.8°C
Safety: A poison by intravenous and intracerebral routes. When heated to decomposition it emits toxic vapors of Br−.
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Chemistry

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

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.

Safety Profile

A poison by intravenous and intracerebral routes. When heated to decomposition it emits toxic vapors of Br−.

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 .