Bismuth tribromophenate (5175-83-7)

Identification
Name:	Bismuth tribromophenate
Synonyms:	Bismuthine,tris(2,4,6-tribromophenoxy)- (7CI); Phenol, 2,4,6-tribromo-, bismuth(3+) salt(8CI,9CI); Bibrophen; Bismuth tribromophenol; Bromphenobis; Bromuth; Sigmaform;Tribromophenobismuth; Xeroform; Xerophen; Phenol,2,4,6-tribromo-, bismuth(3+) salt (3:1)
CAS:	5175-83-7
EINECS:	225-958-9
Molecular Formula:	C6H3 Br3 O . 1/3 Bi
Molecular Weight:	1198.35
InChI:	InChI=1/3C6H3Br3O.Bi/c37-3-1-4(8)6(10)5(9)2-3;/h31-2,10H;/q;;;+3/p-3
Molecular Structure:
Properties
Melting Point:	94-96 deg C
Flash Point:	109.7°C
Boiling Point:	286.8°Cat760mmHg
Density:	g/cm³
Solubility:	Sol in alcohol, chloroform, ether, glycerol oils Very soluble in ethanol; soluble in ether, benzene, carbon tetrachloride, chloroform, acetic acid Sol in caustic alkaline solutions In water, 70 mg/L at 15 deg C
Specification:	The Bismuth tribromophenate with the CAS number 5175-83-7 is also called Phenol,2,4,6-tribromo-, bismuth(3+) salt (3:1). The IUPAC name is bismuth 2,4,6-tribromophenolate. Its EINECS registry number is 225-958-9. The molecular formula is C₁₈H₆BiBr₉O₃. The properties of the chemical are: (1)ACD/LogP: 4.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.27; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 997.76; (6)ACD/BCF (pH 7.4): 91.62; (7)ACD/KOC (pH 5.5): 4693.75; (8)ACD/KOC (pH 7.4): 430.99; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å²; (13)Enthalpy of Vaporization: 54.7 kJ/mol; (14)Vapour Pressure: 0.0015 mmHg at 25°C. You can still convert the following datas into molecular structure: (1)SMILES: [BiH3+3].Brc1cc(Br)cc(Br)c1[O-].Brc1cc(Br)c([O-])c(Br)c1.Brc1cc(Br)c([O-])c(Br)c1 (2)InChI: InChI=1/3C6H3Br3O.Bi/c37-3-1-4(8)6(10)5(9)2-3;/h31-2,10H;/q;;;+3/p-3 (3)InChIKey: SAOHCOFTVLEOCB-DFZHHIFOAX
Flash Point:	109.7°C
Color:	Needles from alcohol; prisms from benzene Long crystals Soft, white needles
Safety Data

Bismuth tribromophenate (5175-83-7)

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