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