Methyl 5-bromo-2-iodobenzoate supplier

Name
METHYL 5-BROMO-2-IODOBENZOATE
EINECS
CAS No. 181765-86-6
Article Data21
CAS DataBase
Density 2.059 g/cm³
Solubility
Melting Point 45-49 °C(lit.)
Formula C₈H₆BrIO₂
Boiling Point 307.128 °C at 760 mmHg
Molecular Weight 340.943
Flash Point 139.546 °C
Transport Information UN 2811
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 5-Bromo-2-iodobenzoicacid methyl ester;
PSA 26.30000
LogP 2.84030

Methyl 5-bromo-2-iodobenzoate Specification

This chemical is called Benzoic acid, 5-bromo-2-iodo-, methyl ester, and its CAS registry number is 340.94. With the molecular formula of C₈H₆BrIO₂, its molecular weight is 340.94. Additionally, its product categories are Acids & Esters; Bromine Compounds; Iodine Compounds; C8 to C9; Carbonyl Compounds; Esters.

Other characteristics of the Benzoic acid, 5-bromo-2-iodo-, methyl ester can be summarised as followings: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 206; (6)ACD/BCF (pH 7.4): 206; (7)ACD/KOC (pH 5.5): 1579; (8)ACD/KOC (pH 7.4): 1579; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 58.623 cm³; (15)Molar Volume: 165.584 cm³; (16)Polarizability: 23.24×10^-24cm³; (17)Surface Tension: 49.06 dyne/cm; (18)Density: 2.059 g/cm³; (19)Flash Point: 139.546 °C; (20)Enthalpy of Vaporization: 54.77 kJ/mol; (21)Boiling Point: 307.128 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is toxic if swallowed. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure:
1.SMILES: Ic1c(C(=O)OC)cc(Br)cc1
2.InChI: InChI=1/C8H6BrIO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
3.InChIKey: CJRHLSZJEFJDLA-UHFFFAOYAV

Product Name

METHYL 5-BROMO-2-IODOBENZOATE

Methyl 5-bromo-2-iodobenzoate Specification

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