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4-(2-Hydroxyethyl)benzonitrile

CAS 69395-13-7
C9H9NO

4-(2-Hydroxyethyl)benzonitrile (CAS 69395-13-7) is a chemical compound with molecular formula C9H9NO and molecular weight 147.17 g/mol . GHS signal word: Danger. Hazard classifications: Toxic, Health Hazard.

What is 4-(2-Hydroxyethyl)benzonitrile?

Molecular Formula
C9H9NO
Molecular Weight
147.17 g/mol

Description

4-(2-Hydroxyethyl)benzonitrile is a nitrile and a member of benzenes.

Structure Identifiers

SMILES
C1=CC(=CC=C1CCO)C#N
InChI
InChI=1S/C9H9NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,11H,5-6H2
InChIKey
RBSJBNYPTGMZIH-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
147.0684 Da
XLogP
0.50
TPSA
44.0 Ų
H-Bond Donors
1
H-Bond Acceptors
2
Complexity
150
Formal Charge
0

Safety information

Signal Word

Danger

GHS Pictograms

GHS pictogram: Toxic GHS06
GHS pictogram: Health Hazard GHS07

Hazard Statements

  • H301 Toxic if swallowed
  • H311 Toxic in contact with skin
  • H331 Toxic if inhaled

Precautionary Statements

  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray
  • P262 Do not get in eyes, on skin, or on clothing
  • P264 Wash thoroughly after handling
  • P270 Do not eat, drink or smoke when using this product
  • P271 Use only outdoors or in a well-ventilated area
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P302+P352 IF ON SKIN: Wash with soap and water
  • P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
  • P305+P351+P338 IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
  • P321 Specific treatment (see supplemental first aid instructions on this label)
  • P330 Rinse mouth
  • P403+P233 Store in a well-ventilated place. Keep container tightly closed
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (38)

  • JMD
  • F220039
  • FH66695
  • Fr13637
  • SY100982
  • TS-01919
  • 677-864-6
  • BBL102762
  • DB-013479
  • SBB086537
  • STL556568
  • 69395-13-7
  • CS-W018212
  • orb3030603
  • ST50824084
  • Z964982550
  • EN300-61341
  • CHEBI:194819
  • MFCD00052461
  • AKOS006229243
  • CHEMBL4534422
  • SCHEMBL320278
  • DTXCID10335214
  • DTXSID00384190
  • RefChem:287242
  • SCHEMBL8390135
  • p-cyanophenethylalcohol
  • 2-(4-CYANOPHENYL)ETHANOL
  • 4-cyanophenethyl alcohol
  • p-cyanophenethyl alcohol
  • RBSJBNYPTGMZIH-UHFFFAOYSA-N
  • 2-(4-CYANOPHENYL)ETHAN-1-ONE
  • 4-(2Hydroxyethyl)benzonitrile
  • 4-(2-hydroxyethyl)benzonitrile
  • 4-(2-hydroxy-ethyl)-benzonitrile
  • BENZONITRILE, 4-(2-HYDROXYETHYL)-
  • 4-(2-hydroxyethyl)benzenecarbonitrile
  • 4-(2-hydroxyethyl)benzonitrile, AldrichCPR

Frequently asked questions

What is the CAS number of 4-(2-Hydroxyethyl)benzonitrile?

The CAS Registry Number for 4-(2-Hydroxyethyl)benzonitrile is 69395-13-7.

What is the molecular formula of 4-(2-Hydroxyethyl)benzonitrile?

4-(2-Hydroxyethyl)benzonitrile has the molecular formula C9H9NO and a molecular weight of 147.17 g/mol.

What is the SMILES notation for 4-(2-Hydroxyethyl)benzonitrile?

The SMILES notation for 4-(2-Hydroxyethyl)benzonitrile is C1=CC(=CC=C1CCO)C#N.

Is 4-(2-Hydroxyethyl)benzonitrile hazardous?

4-(2-Hydroxyethyl)benzonitrile carries the following GHS hazard classifications: Toxic, Health Hazard. Signal word: Danger.

What are other names for 4-(2-Hydroxyethyl)benzonitrile?

4-(2-Hydroxyethyl)benzonitrile is also known as 2-(4-CYANOPHENYL)ETHAN-1-ONE, 2-(4-CYANOPHENYL)ETHANOL, 4-(2-hydroxy-ethyl)-benzonitrile, 4-(2-hydroxyethyl)benzenecarbonitrile, 4-(2-hydroxyethyl)benzonitrile.

Data sourced from PubChem CID 2800815. Last updated .

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