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87-12-7

Basic Information
CAS No.: 87-12-7
Name: dibromsalan
Article Data: 17
Molecular Structure:
Molecular Structure of 87-12-7 (dibromsalan)
Formula: C13H9 Br2 N O2
Molecular Weight: 371.028
Synonyms: Salicylanilide,4',5-dibromo- (6CI,8CI); 3-Bromo-6-hydroxybenz-p-bromanilide;4',5-Dibromosalicylanilide; 5-Bromosalicyl-4-bromoanilide; 5-Bromosalicylicacid p-bromoanilide; Bromsalicylanilide; DIBASK; Dibromsalan; Disanyl; NSC20527; NSC 81947; WR 52606
Density: 1.863g/cm3
Boiling Point: 387.8°C at 760 mmHg
Flash Point: 188.4°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Br.
PSA: 49.33000
LogP: 4.24250
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Chemistry

Product Name: Dibromsalan (CAS NO.87-12-7)


Molecular Formula: C13H9Br2NO2
Molecular Weight: 371.05g/mol
Mol File: 87-12-7.mol
Boiling point: 387.8 °C at 760 mmHg
Flash Point: 188.4 °C
Density: 1.863 g/cm3
Surface Tension: 63.8 dyne/cm
Enthalpy of Vaporization: 66.19 kJ/mol
Vapour Pressure: 1.43E-06 mmHg at 25°C
XLogP3-AA: 4.7
H-Bond Donor: 2
H-Bond Acceptor: 2
IUPAC Name: 5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide
Canonical SMILES: C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Br)O)Br
InChI: InChI=1S/C13H9Br2NO2/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17/
h1-7,17H,(H,16,18) 
InChIKey: CTFFKFYWSOSIAA-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 410mg/kg (410mg/kg)   Industrial Medicine and Surgery. Vol. 39, Pg. 56, 1970.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Br.

Specification

 Dibromsalan ,its CAS NO. is 87-12-7,the synonyms is 5-Bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-Bromo-N-(4-bromophenyl)salicylamide;NSC-20527 ; 3-Bromo-6-hydroxybenz-p-bromanilide ;  p-Bromanilid kyseliny 5-bromsalicylove ; Bromosalicylanilide ;  Benzamide, 5-bromo-N-(4-bromophenyl)-2-hydroxy- ; 4',5-Dibromosalicylanilide .