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2- (4-Cyanophenyl) ethanol

CAT: 0286-C29110-02Size: 1000 mgDry Ice: NoHazardous: Yes
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CAT#:0286-C29110-02Size:1000 mg
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CAS Number
69395-13-7
Synonyms
4- (2-Hydroxyethyl) benzonitrile
UN Code
UN3276
Pictogram
06 - Acute Toxicity; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00052461
Hazard Statement
H301 Toxic if swallowed; H311 Toxic in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H331 Toxic if inhaled; H335 May cause respiratory irritation.
DOT Name
Nitriles, Liquid, Toxic, N.O.S.
DOT Classification
Class 6.1
Packaging Group
PGIII
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P264 Wash skin 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; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P352 IF ON SKIN: wash with plenty of 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 cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Chemical Information

4-(2-Hydroxyethyl)benzonitrile

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

CAS Number69395-13-7
PubChem CID2800815
IUPAC Name4-(2-hydroxyethyl)benzonitrile
Molecular FormulaC9H9NO
Molecular Weight147.17
XLogP0.5
Topological Polar Surface Area44
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity150
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
Chemical Structure
2D Structure
2D structure of 4-(2-Hydroxyethyl)benzonitrile
CAS: 69395-13-7
CID: 2800815
Formula: C9H9NO
MW: 147.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.17
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass147.068413911
Monoisotopic Mass147.068413911
Topological Polar Surface Area44 Ų
Heavy Atom Count11
Formal Charge0
Complexity150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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