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34462-96-9

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Basic Information
CAS No.: 34462-96-9
Name: 5-chloro-7-bromo-8-quinolyl vinyl carbonate
Molecular Structure:
Molecular Structure of 34462-96-9 (5-chloro-7-bromo-8-quinolyl vinyl carbonate)
Formula: C12H7 Br Cl N O2
Molecular Weight: 312.55
Synonyms: CGA 30599;Halacrinate
Density: 1.609g/cm3
Melting Point: 100.5°C
Boiling Point: 435°Cat760mmHg
Flash Point: 216.9°C
Solubility: 6mg/L(20 oC)
Safety: Moderately toxic by skin contact. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx, Br−, and Cl−.
PSA: 48.42000
LogP: 4.30960
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    5-chloro-7-broMo-8-quinolyl vinyl carbonate

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Chemistry

Product Name: 7-Bromo-5-chloroquinolin-8-yl acrylate (CAS NO.34462-96-9)


Molecular Formula: C12H7BrClNO2
Molecular Weight: 312.56g/mol
Mol File: 34462-96-9.mol
Boiling point: 435 °C at 760 mmHg
Flash Point: 216.9 °C
Density: 1.609g/cm3
Surface Tension: 52.2 dyne/cm
Enthalpy of Vaporization: 69.12 kJ/mol
Vapour Pressure:  9.08E-08 mmHg at 25°C 
XLogP3-AA: 3.9
H-Bond Donor: 0
H-Bond Acceptor: 3
IUPAC Name: (7-bromo-5-chloroquinolin-8-yl) prop-2-enoate
Canonical SMILES: C=CC(=O)OC1=C(C=C(C2=C1N=CC=C2)Cl)Br
InChI: InChI=1S/C12H7BrClNO2/c1-2-10(16)17-12-8(13)6-9(14)7-4-3-5-15-11(7)12/
h2-6H,1H2 
InChIKey: YDNLKBDXQCHOTH-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 10gm/kg (10000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A224, Pg. 1984,
rat LD50 skin > 3170mg/kg (3170mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A224, Pg. 1984,

Safety Profile

Moderately toxic by skin contact. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx, Br−, and Cl−.

Specification

 7-Bromo-5-chloroquinolin-8-yl acrylate ,its CAS NO. is 34462-96-9,the synonyms is 8-Acryloyloxy-7-bromo-5-chloroquinoline ; BRN 1470063 ; CGA 30599 ; EINECS 252-049-4 ; Halacrinate ; 2-Propenoic acid, 7-bromo-5-chloro-8-quinolinyl ester ; 5-Chloro-7-bromo-8-quinolyl vinyl carbonate .