(1S,2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol

Basic Information

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CAS Number

2964-48-9

Molecular Formula

C9H12N2O4

Molecular Weight

212.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

163.0 to 167.0 deg-C

Boiling Point

352.03°C (rough estimate)

Flash Point

227.1 °C

Refractive Index

1.5373 (estimate)

Specific Rotation

31 º (c=1 in 6 M HCl)

SMILES

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C1=CC(=CC=C1C(C(CO)N)O)[N+](=O)[O-]

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

LogP

1.17130

Complexity

211

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

InChI=1/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/s
J-017590
AS-18270
[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]azanium
(+/-)-Threomine
AC-11828
CHEMBL3809466
L-(+)-threo-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
(1S,2S)-2-amino-1-(p-nitrophenyl)propane-1,3-diol
BP-12359
2964-48-9
CS-B1683
[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]ammonium
DTXSID40862386
1,3-Propanediol, 2-amino-1-(4-nitrophenyl)-, (1S,2S)-
benzyl3-methyl-1H-pyrazol-5-ylcarbamate
DTXSID801234042
(1s,2s)-2-amino-1-(4-nitrophenyl)propane-1,3-diol
(1S,2S)-(+)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol, 99%
L-threo-(+)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
NSC-12466
OCYJXSUPZMNXEN-IUCAKERBSA-N
3689-55-2
AKOS016842325
O10017
(1S,2s)-2-amino-1-(4-nitrophenyl)-1,3-propanediol
SCHEMBL334444
NSC12466
A819987
L-threo-(+)-2-Amino-1-(4-nitrophenyl)-1 pound not3-propanediol
(1S,2S)-(+)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol

MDL Number

MFCD00007359

FAQ

What is (1S,2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol (CAS: 2964-48-9)?

(1S,2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol, with CAS number 2964-48-9, is a chiral organic compound containing amino, nitro, and hydroxyl functional groups. Its chemical formula is C9H12N2O5, and it is typically a white solid at room temperature. The compound exhibits polar characteristics due to the hydroxyl groups and is used in various scientific and industrial applications.

What are the main uses of (1S,2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol (CAS: 2964-48-9)?

(1S,2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol (CAS: 2964-48-9) is primarily utilized in pharmaceutical research as a potential intermediate for drug development. It may also find applications in organic synthesis, chemical manufacturing, and as a reagent in laboratory experiments. Its unique structure makes it relevant for studying enzyme inhibition and molecular interactions.

Is (1S,2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol (CAS: 2964-48-9) safe?

Safety of (1S,2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol (CAS: 2964-48-9) depends on handling conditions. It may present mild toxicity if inhaled or ingested, so protective measures like gloves, goggles, and ventilation are recommended. Always follow safety data sheet guidelines and proper disposal protocols to ensure compliance with chemical safety standards.

How should (1S,2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol (CAS: 2964-48-9) be stored?

(1S,2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol (CAS: 2964-48-9) should be stored in a cool, dry place (ideally 2-8°C), protected from light. Keep in a sealed, airtight container to prevent moisture absorption. Avoid exposure to incompatible substances and ensure storage conditions maintain its stability and purity for extended periods.