3-(Bromoacetyl)coumarin supplier

Name
(3-BROMOACETYL)COUMARIN
EINECS
CAS No. 29310-88-1
Article Data81
CAS DataBase
Density 1.674 g/cm³
Solubility
Melting Point 164-168 °C(lit.)
Formula C₁₁H₇BrO₃
Boiling Point 424.6 °C at 760 mmHg
Molecular Weight 267.079
Flash Point 210.6 °C
Transport Information
Appearance
Safety 26-36/39
Risk Codes 22-41
Molecular Structure
Hazard Symbols Xn
Synonyms 2H-1-Benzopyran-2-one,3-(bromoacetyl)- (9CI);Coumarin, 3-(bromoacetyl)- (8CI);3-(2-Bromoacetyl)-2-chromenone;3-(2-Bromoacetyl)coumarin;3-(Bromoacetyl)-2H-1-benzopyran-2-one;3-(Bromoacetyl)coumarin;
PSA 47.28000
LogP 2.37060

3-(Bromoacetyl)coumarin Specification

The 3-(Bromoacetyl)coumarin, with the CAS registry number 29310-88-1, is also known as 3-(2-Bromoacetyl)-2H-chromen-2-one. It belongs to the product categories of Coumarin; Building Blocks; Coumarins; CoumarinsHeterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks. This chemical's molecular formula is C₁₁H₇BrO₃ and molecular weight is 267.07. Its IUPAC name is called 3-(2-bromoacetyl)chromen-2-one.

Physical properties of 3-(Bromoacetyl)coumarin: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 33.85; (6)ACD/BCF (pH 7.4): 33.85; (7)ACD/KOC (pH 5.5): 432.99; (8)ACD/KOC (pH 7.4): 432.99; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.629; (13)Molar Refractivity: 56.69 cm³; (14)Molar Volume: 159.5 cm³; (15)Surface Tension: 57.9 dyne/cm; (16)Density: 1.674 g/cm³; (17)Flash Point: 210.6 °C; (18)Enthalpy of Vaporization: 67.91 kJ/mol; (19)Boiling Point: 424.6 °C at 760 mmHg; (20)Vapour Pressure: 2.04E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CBr
(2)InChI: InChI=1S/C11H7BrO3/c12-6-9(13)8-5-7-3-1-2-4-10(7)15-11(8)14/h1-5H,6H2
(3)InChIKey: NTYOLVNSXVYRTJ-UHFFFAOYSA-N

Product Name

(3-BROMOACETYL)COUMARIN

3-(Bromoacetyl)coumarin Specification

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