2-Bromo-2-(diethoxyphosphoryl)acetic acid supplier

Name
2-Bromo-2-(diethoxyphosphoryl)acetic acid
EINECS
CAS No. 216019-46-4
Density 1.593 g/cm³
Solubility
Melting Point
Formula C₆H₁₂BrO₅P
Boiling Point 331.4 °C at 760 mmHg
Molecular Weight 275.036
Flash Point 154.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Bromo(diethoxyphosphoryl)acetic acid;
PSA 82.64000
LogP 2.05810

2-Bromo-2-(diethoxyphosphoryl)acetic acid Specification

The 2-Bromo-2-(diethoxyphosphoryl)acetic acid has CAS registry number 216019-46-4. This chemical's molecular formula is C₆H₁₂BrO₅P and molecular weight is 275.0342. What's more, its systematic name is Bromo(diethoxyphosphoryl)acetic acid.

Physical properties about 2-Bromo-2-(diethoxyphosphoryl)acetic acid are: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.15; (4)ACD/LogD (pH 7.4): -2.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 71.64 Å²; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 49.46 cm³; (15)Molar Volume: 172.6 cm³; (16)Polarizability: 19.6×10^-24 cm³; (17)Surface Tension: 47.6 dyne/cm; (18)Density: 1.593 g/cm³; (19)Flash Point: 154.3 °C; (20)Enthalpy of Vaporization: 63.11 kJ/mol; (21)Boiling Point: 331.4 °C at 760 mmHg; (22)Vapour Pressure: 3.02E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(OCC)(OCC)C(Br)C(=O)O
(2) InChI: InChI=1/C6H12BrO5P/c1-3-11-13(10,12-4-2)5(7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
(3) InChIKey: QRHKMSRYWSWZJU-UHFFFAOYAG

Product Name

2-Bromo-2-(diethoxyphosphoryl)acetic acid

2-Bromo-2-(diethoxyphosphoryl)acetic acid Specification

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