ChemicalBook--->CAS DataBase List--->1182822-31-6

1182822-31-6

1182822-31-6 Structure

1182822-31-6 Structure
IdentificationBack Directory
[Name]

5-amino-2,4-di-tert-butylphenyl methyl carbonate
[CAS]

1182822-31-6
[Synonyms]

ivacaftor intermediate
5-amino-2, 4-ditert-butyl benzoate
5-amino-2,4-di-tert-butylphenyl methyl carbonate
Carbonic acid 5-amino-2,4-bis(1,1-dimethylethyl)phenyl methyl ester
5-Amino-2,4-di-tert-butylphenyl methyl carbonate (Related Reference)
[EINECS(EC#)]

696-357-0
[Molecular Formula]

C16H25NO3
[MDL Number]

MFCD21606649
[MOL File]

1182822-31-6.mol
[Molecular Weight]

279.37
Chemical PropertiesBack Directory
[Boiling point ]

372℃
[density ]

1.038
[Fp ]

116℃
[storage temp. ]

2-8°C
[pka]

3.07±0.10(Predicted)
[Appearance]

Light green to green Solid
[InChI]

InChI=1S/C16H25NO3/c1-15(2,3)10-8-11(16(4,5)6)13(9-12(10)17)20-14(18)19-7/h8-9H,17H2,1-7H3
[InChIKey]

NEMQZDZEKFZZJT-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)OC1=CC(N)=C(C(C)(C)C)C=C1C(C)(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[REACH Registrations]

Active
Spectrum DetailBack Directory
[Spectrum Detail]

5-amino-2,4-di-tert-butylphenyl methyl carbonate(1182822-31-6)1HNMR
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