(2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile

C14H11NO2

CAS61826-76-4
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

Consulting for (2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile

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Identification

CAS Number
61826-76-4
EC Number
441-070-6
UN Number
3276
Index Number
608-063-00-1
PubChem CID
9837437

Physical-chemical properties

Molecular Formula
C14H11NO2
Molar Mass
225.24 g/mol
IUPAC Name
(2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile

Chemical Identifiers

InChI
InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H/t14-/m1/s1
InChI Key
GXUQMKBQDGPMKZ-CQSZACIVSA-N

Overview

(2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile (CAS 61826-76-4) is a chiral organic compound featuring a phenoxyphenyl group with significant industrial applications. This specialized chemical compound belongs to the acetonitrile derivative family, characterized by its unique stereochemical configuration and biphenyl ether structure. The molecule contains both hydroxyl and nitrile functional groups, providing versatility in chemical transformations and synthetic pathways. With a molecular weight of 225.24 g/mol and formula C14H11NO2, this substance exhibits distinct physicochemical properties that make it valuable for various industrial processes. The compound presents significant safety considerations, classified under multiple hazard categories including acute toxicity (Category 3), eye damage (Category 1), and skin sensitization (Category 1). Its environmental impact classification as Aquatic Acute 1 and Aquatic Chronic 1 requires careful handling and disposal protocols. The ADR Class 6.1 designation indicates its toxic nature during transportation, necessitating specialized logistics and storage procedures. Primary industrial applications include pharmaceutical intermediate synthesis, where its chiral nature proves essential for stereoselective reactions. The compound also serves in agrochemical manufacturing and specialty chemical production. Unlike related compounds such as 2,4-dichloro-3-ethyl-6-nitrophenol or 2,2-dibromo-2-cyanoacetamide, this acetonitrile derivative offers unique reactivity patterns due to its phenoxyphenyl structure and hydroxyl positioning. Professional handling requires appropriate personal protective equipment, including chemical-resistant gloves, eye protection, and adequate ventilation systems. Storage should occur in cool, dry conditions away from incompatible materials. OYSI maintains reliable supply chains for (2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile, supporting European industrial customers with consistent quality and technical documentation.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; Eye Dam. 1; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H301

Toxic if swallowed.

H318

Causes serious eye damage.

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Toxic

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number3276
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping Name(S)-alpha-Hydroxy-3-phenoxybenzenacetonitril
Marine PollutantNo

Frequently Asked Questions

What is (2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile?

(2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile is an organic compound with the molecular formula C14H11NO2 and CAS number 61826-76-4. This chiral molecule features a phenoxyphenyl group attached to a hydroxyacetonitrile moiety, with a molecular weight of 225.24 g/mol. It is classified as a hazardous substance requiring careful handling due to its acute toxicity, eye damage potential, and environmental concerns.

What are the physicochemical properties of (2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile?

(2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile is a solid organic compound at room temperature with a molecular weight of 225.24 g/mol. The compound contains both aromatic and aliphatic functional groups, including a nitrile group, a hydroxyl group, and a phenoxy linkage. Its solubility characteristics and specific physical properties depend on the solvent system used, with the polar hydroxyl and nitrile groups influencing its behavior in various media.

What is (2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile used for?

(2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile serves as an important intermediate in pharmaceutical and fine chemical synthesis. Its chiral nature makes it valuable for asymmetric synthesis applications and as a building block for more complex molecules. The compound is primarily used in research and development laboratories, pharmaceutical manufacturing, and specialty chemical production where stereoselective synthesis is required.

How to handle (2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile safely?

(2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile requires careful handling due to its Acute Tox. 3, Eye Dam. 1, and Skin Sens. 1 classifications. Essential PPE includes chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods, avoid skin and eye contact, and ensure emergency eyewash stations are accessible. Handle with appropriate tools to minimize direct contact.

How to store (2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile correctly?

(2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers upright and properly labeled with hazard information. Store separately from strong oxidizing agents and bases. Ensure storage areas have appropriate secondary containment and are accessible only to trained personnel with proper safety equipment.

What to do in case of contact with (2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile?

In case of eye contact with (2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile, immediately flush with plenty of water for at least 15 minutes and seek immediate medical attention due to its Eye Dam. 1 classification. For skin contact, wash thoroughly with soap and water. If inhaled, move to fresh air. Remove contaminated clothing. In all cases of exposure, seek medical advice promptly and provide the safety data sheet to medical personnel.

How to dispose of (2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile properly?

(2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile must be disposed of as hazardous waste according to local and national regulations. Due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications, prevent environmental release. Contact licensed waste disposal companies for proper treatment and disposal. Do not discharge to sewers, waterways, or soil. Maintain disposal records and ensure compliance with all applicable environmental regulations and waste codes.

How to transport (2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile?

(2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile is classified under ADR Class 6.1 (Toxic substances), Packing Group III. Transportation requires appropriate UN-specification packaging, proper labeling with GHS pictogrammes (GHS06, GHS05, GHS09), and accompanying transport documents. Vehicles must carry appropriate emergency equipment and drivers need ADR training. Ensure packages are secured to prevent damage during transport and follow all dangerous goods transportation regulations.

Is (2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile subject to specific regulations?

(2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile is subject to REACH regulation in Europe and requires CLP classification and labeling due to its hazardous properties. While not currently listed as SVHC, it must be handled according to its danger classification with appropriate risk management measures. Users must comply with occupational safety regulations, environmental protection laws, and maintain safety data sheets. Registration and notification requirements may apply depending on quantities handled.

Where to buy (2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile in Europe?

(2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile is available through OYSI, a trusted European distributor of specialty chemicals and pharmaceutical intermediates. OYSI provides proper documentation including safety data sheets, certificates of analysis, and regulatory compliance information. As an established chemical distributor, OYSI ensures quality products with appropriate packaging and labeling for safe handling and transportation throughout Europe.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.