Name: (R)-4-BENZYL-3-CHLOROACETYL-2-
SKU: 184714-56-5

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Basic Information

Molecular Structure:
CAS No.:	184714-56-5
Name:	(R)-4-BENZYL-3-CHLOROACETYL-2-
Article Data:	7

Formula:	C₁₂H₁₂ClNO₃
Molecular Weight:	253.685
Synonyms:	(4R)-4-Benzyl-3-(chloroacetyl)-1,3-oxazolidin-2-one;
Density:	1.348 g/cm³
Melting Point:	78-82 °C(lit.)
Boiling Point:	416.232 °C at 760 mmHg
Flash Point:	205.53 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	46.61000
LogP:	1.75320

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Specification

The (R)-4-Benzyl-3-chloroacetyl-2-oxazolidinone, with the CAS registry number of 184714-56-5, is also known as (4R)-4-Benzyl-3-(chloroacetyl)-1,3-oxazolidin-2-one. This chemical's molecular formula is C₁₂H₁₂ClNO₃ and molecular weight is 253.68. What's more, its systematic name is (4R)-4-Benzyl-3-(chloroacetyl)-1,3-oxazolidin-2-one. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the (R)-4-Benzyl-3-chloroacetyl-2-oxazolidinone are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 60; (8)ACD/KOC (pH 7.4): 60; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 62.358 cm³; (15)Molar Volume: 188.255 cm³; (16)Surface Tension: 53.205 dyne/cm; (17)Density: 1.348 g/cm³; (18)Flash Point: 205.53 °C; (19)Enthalpy of Vaporization: 66.944 kJ/mol; (20)Boiling Point: 416.232 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. What's more, during using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES:ClCC(=O)N1C(=O)OC[C@H]1Cc2ccccc2
(2) InChI:InChI=1/C12H12ClNO3/c13-7-11(15)14-10(8-17-12(14)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1
(3) InChIKey:DVPUBLCBQBQPOU-SNVBAGLBBJ