Atomfair (3S)-4-chloro-3-hydroxybutanenitrile C4H6ClNO CAS 127913-44-4

Description

(3S)-4-chloro-3-hydroxybutanenitrile (CAS No. 127913-44-4) is a high-purity chiral intermediate widely used in pharmaceutical synthesis and organic chemistry research. This compound, with the molecular formula C₄H₆ClNO, features a hydroxyl group and a nitrile functionality, making it a versatile building block for asymmetric synthesis. Its (S)-configuration ensures enantioselective applications in the production of active pharmaceutical ingredients (APIs) and fine chemicals. Supplied as a clear to pale yellow liquid, it is rigorously tested for purity (>98%) and stored under controlled conditions to maintain stability. Ideal for researchers and industrial chemists seeking reliable chiral precursors for complex molecule construction.

Properties

• CAS Number: 127913-44-4
• Complexity: 84.9
• IUPAC Name: (3S)-4-chloro-3-hydroxy-butanenitrile
• InChI: InChI=1S/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2/t4-/m0/s1
• InChI Key: LHBPNZDUNCZWFL-BYPYZUCNSA-N
• Exact Mass: 119.0137915
• Molecular Formula: C4H6ClNO
• Molecular Weight: 119.55
• SMILES: C(C#N)[C@@H](CCl)O
• Topological: 44
• Monoisotopic Mass: 119.0137915
• Synonyms: (3S)-4-chloro-3-hydroxybutanenitrile, 834-072-7, (S)-4-Chloro-3-hydroxybutyronitrile, 127913-44-4, Butanenitrile, 4-chloro-3-hydroxy-, (3S)-, (S)-(-)-4-Chloro-3-hydroxybutyronitrile, (3S)-4-Chloro-3-hydroxybutyronitrile, (s)-4-chloro-3-hydroxybutanenitrile, MFCD00273363, (3S)-4-Chloro-3-hydroxybutanenitrile; (S)-4-Chloro-3-hydroxybutanenitrile; (S)-(-)-4-Chloro-3-hydroxybutyronitrile; (S)-4-Chloro-3-hydroxybutyronitrile;, (S)-(-)-4-chloro 3-hydroxybutyronitrile, SCHEMBL2685349, DTXSID80427251, LHBPNZDUNCZWFL-BYPYZUCNSA-N, AKOS006237609, AS-12916, DB-005035, C3331, CS-0096879, EN300-7287322

(3S)-4-chloro-3-hydroxybutanenitrile is primarily employed as a chiral synthon in the synthesis of statin-class drugs, such as atorvastatin and rosuvastatin. It serves as a key intermediate in the preparation of γ-lactones and β-hydroxy acids via nucleophilic substitution or reduction reactions. The compound’s enantiopurity makes it valuable for asymmetric catalysis and stereoselective transformations in medicinal chemistry.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (100%)
• STOT SE 3 (50%)

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