Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

3-Cyanobenzyl alcohol

Related Products

Hot Products

Name

3-Cyanobenzyl alcohol

EINECS N/A
CAS No. 874-97-5 Density 1.16 g/cm3
PSA 44.02000 LogP 1.05058
Solubility N/A Melting Point 28-32 °C
Formula C8H7NO Boiling Point 283.8 °C at 760 mmHg
Molecular Weight 133.15 Flash Point 125.4 °C
Transport Information 3276 Appearance N/A
Safety 23-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 874-97-5 (3-CYANOBENZYL ALCOHOL) Hazard Symbols IrritantXi
Synonyms

m-Tolunitrile, α-hydroxy- (6CI,7CI,8CI);3-(Hydroxymethyl)benzonitrile;3-Cyanobenzenemethanol;m-Cyanobenzyl alcohol;

Article Data 44

3-Cyanobenzyl alcohol Specification

This chemical is called 3-(Hydroxymethyl)benzonitrile, and it can also be named as benzonitrile, 3-(hydroxymethyl)-. With the molecular formula of C8H7NO, its molecular weight is 133.15. The CAS registry number of this chemical is 874-97-5. Additionally, its product categories are Benzhydrols, Benzyl & Special Alcohols.

Other characteristics of the 3-(Hydroxymethyl)benzonitrile can be summarised as followings: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.47; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 1.34; (6)ACD/BCF (pH 7.4): 1.34; (7)ACD/KOC (pH 5.5): 42.99; (8)ACD/KOC (pH 7.4): 42.99; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.02 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 37.47 cm3; (15)Molar Volume: 113.8 cm3; (16)Polarizability: 14.85×10-24cm3; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 125.4 °C; (20)Enthalpy of Vaporization: 55.21 kJ/mol; (21)Boiling Point: 283.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00145 mmHg at 25°C.

Production method of this chemical: The 3-(Hydroxymethyl)benzonitrile could be obtained by the reactant of 3-cyano-benzoic acid ethyl ester. This reaction needs the reagent of Ca(BH4)2, and the solvent of tetrahydrofuran. The yield is 70 %. In addition, this reaction should be taken for 1 hour at the temperature of 100 °C.

Uses of this chemical: The 3-formyl-benzonitrile could be obtained by the reactant of 3-(Hydroxymethyl)benzonitrile. This reaction needs the reagent of quinolinium fluorochromate, and the solvent of dimethylsulfoξde. This reaction should be taken at the temperature of 14.85 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: N#Cc1cccc(c1)CO
2.InChI: InChI=1/C8H7NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,10H,6H2
3.InChIKey: PCOFIIVWHXIDGT-UHFFFAOYAE

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 874-97-5