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Butanoic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,4-difluoro-, (2S)- (467442-20-2)

Identification
Name:Butanoic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,4-difluoro-, (2S)-
Synonyms:(S)-2-(tert-Butoxycarbonylamino)-4,4-difluorobutanoic acid;
CAS:467442-20-2
Molecular Formula: C9H15F2NO4
Molecular Weight: 239.22
InChI: InChI=1/C9H15F2NO4/c1-9(2,3)16-8(15)12-5(7(13)14)4-6(10)11/h5-6H,4H2,1-3H3,(H,12,15)(H,13,14)/t5-/m0/s1
Molecular Structure: (C9H15F2NO4) (S)-2-(tert-Butoxycarbonylamino)-4,4-difluorobutanoic acid;
Properties
Density:1.222
Refractive index:1.433
Specification:

The (S)-2-(tert-Butoxycarbonylamino)-4,4-difluorobutanoic acid, its cas register number is 467442-20-2. It also can be called as Butanoic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,4-difluoro-, (2S)- and the Systematic name about this chemicals is (2S)-2-(tert-butoxycarbonylamino)-4,4-difluoro-butanoic acid.

Following are the chemical properties about (S)-2-(tert-Butoxycarbonylamino)-4,4-difluorobutanoic acid: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 75.63Å2; (5)Index of Refraction: 1.433; (6)Molar Refractivity: 50.88 cm3; (7)Molar Volume: 195.7 cm3; (8)Polarizability: 20.17x10-24cm3; (9)Surface Tension: 34.2 dyne/cm; (10)Enthalpy of Vaporization: 65.1 kJ/mol; (11)Boiling Point: 348.1 °C at 760 mmHg; (12)Vapour Pressure: 8.96E-06 mmHg at 25°C.

If you want to store this chemical, please keep containers tightly sealed, and store in cool, dry place in tightly closed containers, also ensure good ventilation/exhaustion at the workplace. There are some first aid measures: (1)Inhalation: supply fresh air, if required, provide artificial respiration and keep patient warm. (2)Skin contact: seek immediate medical advice and instantly wash with water, soap and rinse thoroughly.

This chemical can be described computed from structure:
(1)SMILES: CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)O
(2)InChI: InChI=1/C9H15F2NO4/c1-9(2,3)16-8(15)12-5(7(13)14)4-6(10)11/h5-6H,4H2,1-3H3,(H,12,15)(H,13,14)/t5-/m0/s1
(3)InChIKey: UCCLBCNDXKDPDT-YFKPBYRVBC
(4)Std. InChI: InChI=1S/C9H15F2NO4/c1-9(2,3)16-8(15)12-5(7(13)14)4-6(10)11/h5-6H,4H2,1-3H3,(H,12,15)(H,13,14)/t5-/m0/s1
(5)Std. InChIKey: UCCLBCNDXKDPDT-YFKPBYRVSA-N

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