Ethyl 3-bromo-4-cyanobenzoate supplier

Name
Ethyl 3-broMo-4-cyanobenzoate
EINECS
CAS No. 362527-61-5
Article Data3
CAS DataBase
Density 1.534 g/cm³
Solubility
Melting Point
Formula C₁₀H₈BrNO₂
Boiling Point 360.628 °C at 760 mmHg
Molecular Weight 254.083
Flash Point 171.902 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoic acid, 3-bromo-4-cyano-, ethyl ester
PSA 50.09000
LogP 2.49748

Ethyl 3-bromo-4-cyanobenzoate Specification

The Ethyl 3-bromo-4-cyanobenzoate, with the CAS registry number 362527-61-5, is also known as Benzoic acid, 3-bromo-4-cyano-, ethyl ester. This chemical's molecular formula is C₁₀H₈BrNO₂ and molecular weight is 254.08. What's more, its systematic name is Ethyl 3-bromo-4-cyanobenzoate.

Physical properties of Ethyl 3-bromo-4-cyanobenzoate are: (1)ACD/LogP: 2.862; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 88.18; (6)ACD/BCF (pH 7.4): 88.18; (7)ACD/KOC (pH 5.5): 859.22; (8)ACD/KOC (pH 7.4): 859.22; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 50.09 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 54.785 cm³; (15)Molar Volume: 165.644 cm³; (16)Polarizability: 21.718×10^-24cm³; (17)Surface Tension: 53.5 dyne/cm; (18)Density: 1.534 g/cm³; (19)Flash Point: 171.902 °C; (20)Enthalpy of Vaporization: 60.636 kJ/mol; (21)Boiling Point: 360.628 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1Br)C(=O)OCC
(2)Std. InChI: InChI=1S/C10H8BrNO2/c1-2-14-10(13)7-3-4-8(6-12)9(11)5-7/h3-5H,2H2,1H3
(3)Std. InChIKey: SVBBQSMUEOIQDZ-UHFFFAOYSA-N

Product Name

Ethyl 3-broMo-4-cyanobenzoate

Ethyl 3-bromo-4-cyanobenzoate Specification

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