CAS No.188813-09-4,3-BROMO-5-IODOBENZALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	188813-09-4
Name:	3-BROMO-5-IODOBENZALDEHYDE
Article Data:	7

Formula:	C₇H₄BrIO
Molecular Weight:	310.917
Synonyms:	3-Bromo-5-iodobenzaldehyde;
Density:	2.231 g/cm³
Boiling Point:	318.433 °C at 760 mmHg
Flash Point:	146.384 °C
PSA:	17.07000
LogP:	2.86620

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Specification

The Benzaldehyde, 3-bromo-5-iodo- has CAS registry number 188813-09-4. This chemical's molecular formula is C₇H₄BrIO and molecular weight is 310.91. What's more, its systematic name is called 3-Bromo-5-iodobenzaldehyde.

Physical properties about Benzaldehyde, 3-bromo-5-iodo- are: (1)ACD/LogP: 4.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 418; (6)ACD/BCF (pH 7.4): 418; (7)ACD/KOC (pH 5.5): 2616; (8)ACD/KOC (pH 7.4): 2616; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 53.603 cm³; (15)Molar Volume: 139.357 cm³; (16)Surface Tension: 54.382 dyne/cm; (17)Density: 2.231 g/cm³; (18)Flash Point: 146.384 °C; (19)Enthalpy of Vaporization: 55.993 kJ/mol; (20)Boiling Point: 318.433 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cc(C=O)cc(Br)c1
(2) InChI: InChI=1/C7H4BrIO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
(3) InChIKey: XZXJUWDREBPKRI-UHFFFAOYAM