ChemicalBook--->CAS DataBase List--->2964-48-9

2964-48-9

2964-48-9 Structure

2964-48-9 Structure
IdentificationBack Directory
[Name]

(1S,2S)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol
[CAS]

2964-48-9
[Synonyms]

L-BASE
(1S,2S)-
Threomine
D-amino-compound
Adenosine DisopiuM Triphosphate
(2S)-2-aMino-1-(4-nitrophenyl)propane-1,3-diol
(1S,2S)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol
(1S,2S)-2-Amino-1-(p-nitrophenyl)-1,3-propanediol
(1S2S)-2-AMINO-1-(4-NITROPHENYL)PROPANE-13-DIOL 96%
[S(R*,R*)]-2-amino-1-(p-nitrophenyl)propane-1,3-diol
(1S,2S)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol,96%
(1S,2S)-(+)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol 99%
(1S,2S)-2-AMino-1-(4-nitrophenyl)propane-1,3-diol, 96% 5GR
[EINECS(EC#)]

221-001-4
[Molecular Formula]

C9H12N2O4
[MDL Number]

MFCD00803398
[MOL File]

2964-48-9.mol
[Molecular Weight]

212.2
Chemical PropertiesBack Directory
[Appearance]

yellow to beige crystalline powder
[Melting point ]

163-166 °C(lit.)
[alpha ]

31 º (C=1 IN 6 M HCL)
[Boiling point ]

352.03°C (rough estimate)
[density ]

1.3136 (rough estimate)
[refractive index ]

1.5373 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

soluble in DMSO, Methanol
[form ]

Crystalline Powder
[pka]

10.98±0.45(Predicted)
[color ]

Yellow to beige
[Optical Rotation]

[α]23/D +31°, c = 1 in 6 M HCl
[InChI]

InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9-/m0/s1
[InChIKey]

OCYJXSUPZMNXEN-IUCAKERBSA-N
[SMILES]

[C@@H](C1=CC=C([N+]([O-])=O)C=C1)(O)[C@@H](N)CO
Hazard InformationBack Directory
[Chemical Properties]

yellow to beige crystalline powder
[Uses]

Used in the synthesis of (4S,5S)-(-)-isocytoxazone.
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29221990
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

(1S,2S)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol(2964-48-9)1HNMR
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