Product Name

  • Name

    4-Hydroxybenzyl cyanide

  • EINECS 238-046-0
  • CAS No. 14191-95-8
  • Article Data43
  • CAS DataBase
  • Density 1.167 g/cm3
  • Solubility slightly soluble in water
  • Melting Point 68-72 °C
  • Formula C8H7NO
  • Boiling Point 330 °C at 760 mmHg
  • Molecular Weight 133.15
  • Flash Point 137.2 °C
  • Transport Information
  • Appearance light brown solid
  • Safety 36/37-36/37/39-26
  • Risk Codes 20/21/22-36/37/38
  • Molecular Structure Molecular Structure of 14191-95-8 (4-Hydroxybenzyl cyanide)
  • Hazard Symbols HarmfulXn,IrritantXi
  • Synonyms Acetonitrile,(p-hydroxyphenyl)- (6CI,8CI);(4-Hydroxyphenyl)acetonitrile;4-(Cyanomethyl)phenol;4-Hydroxybenzeneacetonitrile;4-Hydroxybenzyl cyanide;4-Hydroxybenzylnitrile;NSC 76080;p-Hydroxybenzyl cyanide;p-Hydroxyphenylacetonitrile;a-Cyano-p-cresol;
  • PSA 44.02000
  • LogP 1.45828

Synthetic route

2-[4-(benzyloxy)phenyl]acetonitrile
838-96-0

2-[4-(benzyloxy)phenyl]acetonitrile

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
With tetrachlorosilane; borontrifluoride acetic acid; lithium iodide In toluene; acetonitrile at 70℃; for 2h;98%
Methyl formate
107-31-3

Methyl formate

(4-hydroxyphenyl)methanol
623-05-2

(4-hydroxyphenyl)methanol

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
With sulfuric acid In methanol; dichloromethane; water96%
p-methoxybenzylnitrile
104-47-2

p-methoxybenzylnitrile

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
Stage #1: p-methoxybenzylnitrile With aluminum (III) chloride In toluene at 20 - 70℃; for 4.33 - 6.5h;
Stage #2: With hydrogenchloride; water In toluene at 20℃;		95.41%
Stage #1: p-methoxybenzylnitrile With aluminium trichloride In toluene at 70℃;
Stage #2: With hydrogenchloride; water at 20℃; Further stages.;		84%
With 1-butylpyridinium bromide at 100℃; Microwave irradiation; Neat (no solvent);84%
(4-hydroxyphenyl)methanol
623-05-2

(4-hydroxyphenyl)methanol

formic acid ethyl ester
109-94-4

formic acid ethyl ester

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
In ethanol94%
4-Bromophenylacetonitrile
16532-79-9

4-Bromophenylacetonitrile

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
With tris(6,6'-diamino-2,2'-bipyridine); 4,4-diphenyl-1,3,5,7,8-pentamethyl-2,6-diethyl-4-bora-3a,4a-diaza-s-indacene; Br2Ni*3H2O; water; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide; acetonitrile at 20℃; for 24h; Glovebox; Irradiation; Inert atmosphere;89%
4-(cyanomethyl)phenylboronic acid
91983-26-5

4-(cyanomethyl)phenylboronic acid

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
With oxygen; triethylamine In acetonitrile under 760.051 Torr; for 24h; Irradiation; Green chemistry;85%
Triethoxysilane
998-30-1

Triethoxysilane

2-(4-hydroxyphenyl)acetamide
17194-82-0

2-(4-hydroxyphenyl)acetamide

A

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

B

C12H30O7Si2

C12H30O7Si2

Conditions
ConditionsYield
With C22H48FeOP4 In tetrahydrofuran at 60℃; for 24h; Inert atmosphere; Schlenk technique;A 85%
B n/a
...Expand
2-(4-hydroxyphenyl)acetamide
17194-82-0

2-(4-hydroxyphenyl)acetamide

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
With Triethoxysilane; C43H50FeP4Si; zinc dibromide In tetrahydrofuran at 40℃; for 30h; Schlenk technique;82%
With diphenylsilane; FeH(PMe3)2(SiPh(NCH2PPh2)2C6H4) In tetrahydrofuran at 70℃; for 24h; Schlenk technique; Inert atmosphere;55%
N-(hydroxyphenyl)glycine
122-87-2

N-(hydroxyphenyl)glycine

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
With sodium hydroxide In water; N,N-dimethyl-formamide80%
sodium cyanide
773837-37-9

sodium cyanide

(4-hydroxyphenyl)methanol
623-05-2

(4-hydroxyphenyl)methanol

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
In N,N-dimethyl-formamide67%
In N,N-dimethyl-formamide at 120℃; for 26h; Inert atmosphere;546 mg
With tetrabutylammomium bromide
sodium cyanide
773837-37-9

sodium cyanide

4-methoxy-phenol
150-76-5

4-methoxy-phenol

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 130℃; for 24h;65%
L-Tyr-NH2
4985-46-0

L-Tyr-NH2

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
With potassium hydroxide; [bis(acetoxy)iodo]benzene In methanol at 0 - 5℃; for 1.5h;61%
L-tyrosine
60-18-4

L-tyrosine

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
With potassium hydroxide; [bis(acetoxy)iodo]benzene In methanol at 0 - 5℃; for 1.5h;52%
With hydrogenchloride; sode de l'acide trichloroisocyanurique In water for 3h;
2-acetyl-3-(4-methoxyphenyl)isoxazol-5(2H)-one
267877-40-7

2-acetyl-3-(4-methoxyphenyl)isoxazol-5(2H)-one

A

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

B

4-acetaminophenol
103-90-2

4-acetaminophenol

C

4-cyanophenol
767-00-0

4-cyanophenol

D

4-(2-methyloxazol-4-yl)phenol

4-(2-methyloxazol-4-yl)phenol

Conditions
ConditionsYield
at 750℃; Product distribution; Further Variations:; Temperatures; Rearrangement; decomposition;A 25%
B 7%
C 45%
D 23%
...Expand
4-hydroxybenzyl chloride
35421-08-0

4-hydroxybenzyl chloride

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
In acetonitrile45%
In acetonitrile45%
p-aminophenylacetonitrile
3544-25-0

p-aminophenylacetonitrile

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
With sodium nitrite
2-(hydroxyimino)-3-(4-hydroxyphenyl)propanoic acid
56401-28-6

2-(hydroxyimino)-3-(4-hydroxyphenyl)propanoic acid

acetic anhydride
108-24-7

acetic anhydride

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
Erwaermen des Reaktionsprodukts mit wss. NaOH;
4-hydroxybenzyl chloride
35421-08-0

4-hydroxybenzyl chloride

sodium cyanide
143-33-9

sodium cyanide

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

sinalbin

sinalbin

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
With water; silver nitrate man behandelt den Niederschlag in waessr. Suspension mit H2S;
(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3-(4-hydroxy-phenyl)-propionic acid
1050-28-8

(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3-(4-hydroxy-phenyl)-propionic acid

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: KOH, PhI(OAc)2 / 1.5 h / 0 - 5 °C
2: 52 percent / PhI(OAc)2, KOH / methanol / 1.5 h / 0 - 5 °C
View Scheme
p-cresol
106-44-5

p-cresol

n-C3H7X

n-C3H7X

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
Multi-step reaction with 5 steps
2: PCl3, PhCONH2, (PhCO)2O2, SO2Cl2 / 135 °C
View Scheme
p-chloromethyl-phenyl chloroformate
15451-04-4

p-chloromethyl-phenyl chloroformate

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

-chlorid
61661-14-1

-chlorid

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

p-tolyl chloroformate
937-62-2

p-tolyl chloroformate

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: PCl3, PhCONH2, (PhCO)2O2, SO2Cl2 / 135 °C
View Scheme
propyl methanoate
110-74-7

propyl methanoate

(4-hydroxyphenyl)methanol
623-05-2

(4-hydroxyphenyl)methanol

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
With formic acid In N,N-dimethyl-formamide
(4-hydroxyphenyl)methanol
623-05-2

(4-hydroxyphenyl)methanol

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

4-hydroxyphenylacetonitrile 4-O-β-D-glucopyranosyl(1->6)-β-D-glucopyranoside
1252085-64-5

4-hydroxyphenylacetonitrile 4-O-β-D-glucopyranosyl(1->6)-β-D-glucopyranoside

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
With β-glucosidase from almonds; water at 37℃; for 4h; pH=5; McIlvaine buffer; Enzymatic reaction;
4-hydroxy-benzaldehyde
123-08-0

4-hydroxy-benzaldehyde

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogen
2: tetrabutylammomium bromide
View Scheme
benzamide
55-21-0

benzamide

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sulfuryl dichloride; dibenzoyl peroxide
2: methanol; acetonitrile
3: acetonitrile
View Scheme
4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

isopropyl bromide
75-26-3

isopropyl bromide

2-[4-(propan-2-yloxy)phenyl]acetonitrile
50690-53-4

2-[4-(propan-2-yloxy)phenyl]acetonitrile

Conditions
ConditionsYield
With potassium carbonate In dimethyl sulfoxide99%
With sodium hydride In N,N-dimethyl-formamide at 60℃;85%
4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

p-{[(hydroxy)imino]-2-aminoethyl}phenol
58484-76-7

p-{[(hydroxy)imino]-2-aminoethyl}phenol

Conditions
ConditionsYield
With hydroxylamine hydrochloride; potassium carbonate In ethanol for 4h; Heating;99%
4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

ethyl bromoacetate
105-36-2

ethyl bromoacetate

C12H13NO3
1016887-21-0

C12H13NO3

Conditions
ConditionsYield
With potassium carbonate; sodium iodide In acetonitrile at 20℃; for 24h; Reflux;99%
methanol
67-56-1

methanol

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

methyl-2-(4-hydroxyphenyl)acetimidate hydrochloride

methyl-2-(4-hydroxyphenyl)acetimidate hydrochloride

Conditions
ConditionsYield
With acetyl chloride at -20 - 20℃; Inert atmosphere;99%
4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

acetic anhydride
108-24-7

acetic anhydride

O-acetyl-4-hydroxyphenylacetonitrile
67741-16-6

O-acetyl-4-hydroxyphenylacetonitrile

Conditions
ConditionsYield
In pyridine at 120℃; for 4h;98.5%
With pyridine at 120℃; for 4h; Inert atmosphere;98%
With pyridine at 120℃; for 4h; Inert atmosphere;98%
4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

tert-butyldimethylsilyl chloride
18162-48-6

tert-butyldimethylsilyl chloride

4-(tert-butyldimethylsilyloxy)-phenyl-acetonitrile
167263-57-2

4-(tert-butyldimethylsilyloxy)-phenyl-acetonitrile

Conditions
ConditionsYield
With 1H-imidazole In dichloromethane at 20℃; for 3h;98%
With 1H-imidazole; dmap In dichloromethane at 0℃; for 8.16667h;97%
With 1H-imidazole; dmap In DMF (N,N-dimethyl-formamide) at 20℃; for 16h;
4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

2-(4-hydroxyphenyl)acetamide
17194-82-0

2-(4-hydroxyphenyl)acetamide

Conditions
ConditionsYield
With bis(dimethylphosphinous acid-kP)dimethylphosphinyl-kP-hydridoplatinum(II) In ethanol; water for 18h; Reflux;98%
Multi-step reaction with 3 steps
1: KOH-solution
2: HCl
3: aqueous ammonia / 105 °C
View Scheme
1H-imidazole
288-32-4

1H-imidazole

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

tert-butyldimethylsilyl chloride
18162-48-6

tert-butyldimethylsilyl chloride

4-(tert-butyldimethylsilyloxy)-phenyl-acetonitrile
167263-57-2

4-(tert-butyldimethylsilyloxy)-phenyl-acetonitrile

Conditions
ConditionsYield
In N,N-dimethyl-formamide98%
With sodium chloride In water; N,N-dimethyl-formamide
With sodium chloride In water; N,N-dimethyl-formamide
...Expand
4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

tert-butylchlorodiphenylsilane
58479-61-1

tert-butylchlorodiphenylsilane

(4-{[tert-butyl(diphenyl)silyl]oxy}phenyl)acetonitrile
1173102-57-2

(4-{[tert-butyl(diphenyl)silyl]oxy}phenyl)acetonitrile

Conditions
ConditionsYield
With 1H-imidazole In dichloromethane at 20℃;98%
4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

benzyl bromide
100-39-0

benzyl bromide

2-[4-(benzyloxy)phenyl]acetonitrile
838-96-0

2-[4-(benzyloxy)phenyl]acetonitrile

Conditions
ConditionsYield
With potassium carbonate In acetone for 17h; Heating;97%
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 20℃;96%
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 10 - 12h;88%
4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

allyl bromide
106-95-6

allyl bromide

2-(4-(allyloxy)phenyl)acetonitrile
515163-31-2

2-(4-(allyloxy)phenyl)acetonitrile

Conditions
ConditionsYield
In acetonitrile for 6h; Reflux; Inert atmosphere;97%
With potassium carbonate In acetone at 20℃; for 24h;85%
With potassium carbonate In acetone at 66℃; for 12h;
4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

4-bromo-benzaldehyde
1122-91-4

4-bromo-benzaldehyde

(E)-3-(4-bromophenyl)-2-(4-hydroxyphenyl)acrylonitrile

(E)-3-(4-bromophenyl)-2-(4-hydroxyphenyl)acrylonitrile

Conditions
ConditionsYield
Stage #1: 4-cyanomethylphenol With potassium tert-butylate In ethanol for 0.5h;
Stage #2: 4-bromo-benzaldehyde In ethanol at 20℃; for 3h;		97%
2-chloroethyl methyl ether
627-42-9

2-chloroethyl methyl ether

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

4-(2-methoxyethoxy)-benzyl cyanide
352547-54-7

4-(2-methoxyethoxy)-benzyl cyanide

Conditions
ConditionsYield
With potassium carbonate96.8%
4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

C16H11NO

C16H11NO

C24H16N2O

C24H16N2O

Conditions
ConditionsYield
With sodium methylate In methanol; ethanol at 20℃; for 0.166667h;96%
4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

C16H10BrNO

C16H10BrNO

C24H15BrN2O

C24H15BrN2O

Conditions
ConditionsYield
With sodium methylate In methanol; ethanol at 20℃; for 0.166667h;96%
4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

C17H13NO2

C17H13NO2

C25H18N2O2

C25H18N2O2

Conditions
ConditionsYield
With sodium methylate In methanol; ethanol at 20℃; for 0.166667h;96%
4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

2-(4-hydroxy-3-nitrophenyl)acetonitrile

2-(4-hydroxy-3-nitrophenyl)acetonitrile

Conditions
ConditionsYield
With sulfuric acid; nitric acid In dichloromethane at 0℃;96%
tert-amyl hydroperoxide
3425-61-4

tert-amyl hydroperoxide

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

C12H16O3

C12H16O3

Conditions
ConditionsYield
With Zr6(μ3-O)4(μ3-OH)4(OH)6(H2O)6(IDA)3; potassium hydroxide In acetonitrile at 80℃; for 10h;96%
1-bromo-hexane
111-25-1

1-bromo-hexane

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

2-(4-(hexyloxy)phenyl)acetonitrile
61017-93-4

2-(4-(hexyloxy)phenyl)acetonitrile

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 4h;95.5%
With potassium carbonate In acetonitrile for 3h; Reflux;93%
Stage #1: 4-cyanomethylphenol With potassium carbonate In ethanol for 0.333333h;
Stage #2: 1-bromo-hexane In ethanol at 50℃; for 5h;		88.7%
4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

benzyl bromide
100-39-0

benzyl bromide

A

[1(R)]-3-(aminomethyl)-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-N-hydroxy-alpha-(2-methylpropyl)-2-oxo-1-pyrrolidineacetamide bis(trifluoroacetate)

[1(R)]-3-(aminomethyl)-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-N-hydroxy-alpha-(2-methylpropyl)-2-oxo-1-pyrrolidineacetamide bis(trifluoroacetate)

B

2-[4-(benzyloxy)phenyl]acetonitrile
838-96-0

2-[4-(benzyloxy)phenyl]acetonitrile

Conditions
ConditionsYield
With potassium carbonate In acetoneA n/a
B 95%
...Expand
4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

tyramine hydrochloride
60-19-5

tyramine hydrochloride

Conditions
ConditionsYield
With hydrogenchloride; 1% Pd/C; hydrogen In ethanol; water under 2585.81 Torr; for 12h;95%
tert.-butylhydroperoxide
75-91-2

tert.-butylhydroperoxide

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

tert-butyl 4-hydroxybenzoate
25804-49-3

tert-butyl 4-hydroxybenzoate

Conditions
ConditionsYield
With Zr6(μ3-O)4(μ3-OH)4(OH)6(H2O)6(IDA)3; potassium hydroxide In acetonitrile at 80℃; for 10h;95%
In water; acetonitrile at 60℃; for 16h; Molecular sieve; Schlenk technique; Inert atmosphere;72%
4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

phenylboronic acid
98-80-6

phenylboronic acid

2-(4-hydroxyphenyl)-1-phenylethan-1-one
6420-90-2

2-(4-hydroxyphenyl)-1-phenylethan-1-one

Conditions
ConditionsYield
With trifluorormethanesulfonic acid; palladium diacetate; 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine In water at 60℃; for 2h;94%
4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

benzyl bromide
100-39-0

benzyl bromide

4-benzyloxy-1-(α,α-dibenzyl)cyanomethylbenzene

4-benzyloxy-1-(α,α-dibenzyl)cyanomethylbenzene

Conditions
ConditionsYield
With sodium hydride In tetrahydrofuran; N,N-dimethyl-formamide for 18h; Heating;93%
3,4-dihydro-2H-pyran
110-87-2

3,4-dihydro-2H-pyran

4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

[4-(tetrahydro-2H-pyran-2-yloxy)phenyl]acetonitrile
19001-09-3

[4-(tetrahydro-2H-pyran-2-yloxy)phenyl]acetonitrile

Conditions
ConditionsYield
With toluene-4-sulfonic acid at 0℃; for 1.5h;93%
4-cyanomethylphenol
14191-95-8

4-cyanomethylphenol

5-(2-bromo-ethyl)-1,1,4α-trimethyl-6-methylene-decahydro-naphthalene
470474-31-8

5-(2-bromo-ethyl)-1,1,4α-trimethyl-6-methylene-decahydro-naphthalene

13-(4-hydroxybenzyl)-15,16-bisnorlabda-8(17)-en-14-nitrile

13-(4-hydroxybenzyl)-15,16-bisnorlabda-8(17)-en-14-nitrile

Conditions
ConditionsYield
Stage #1: 4-cyanomethylphenol With sodium hydride In tetrahydrofuran for 1.5h; Reflux;
Stage #2: 5-(2-bromo-ethyl)-1,1,4α-trimethyl-6-methylene-decahydro-naphthalene In tetrahydrofuran for 3h; Reflux;		93%

4-Hydroxybenzyl cyanide Specification

The IUPAC name of 4-Hydroxybenzyl cyanide is 2-(4-hydroxyphenyl)acetonitrile. With the CAS registry number 14191-95-8, it is also named as p-Hydroxyphenylacetonitrile. The product's categories are Aromatic Nitriles; Aromatics; Inhibitors. Besides, it is light brown solid, which should be stored in a tightly closed container in a ventilated, dark, cool and dry place. In addition, this chemical is slightly soluble in water.

Physical properties about 4-Hydroxybenzyl cyanide are: (1)ACD/LogP: -1.79; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.29; (4)ACD/LogD (pH 7.4): -4.29; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 39.633 cm3; (14)Molar Volume: 119.226 cm3; (15)Polarizability: 15.712 10-24cm3; (16)Surface Tension: 63.898998260498 dyne/cm; (17)Density: 1.452 g/cm3; (18)Flash Point: 183.54 °C; (19)Enthalpy of Vaporization: 68.946 kJ/mol; (20)Boiling Point: 379.872 °C at 760 mmHg

Preparation of 4-Hydroxybenzyl cyanide: this chemical can be prepared by diazotizing and hydrolyzing of Aminopheny-lacetonitrile. The reaction equation is as follows:

Preparation of 4-Hydroxybenzyl cyanide

Uses of 4-Hydroxybenzyl cyanide: this chemical is used as intermediate for atenolol and also used in organic synthesis. Additionally, it can react with Bromomethyl-benzene to get (4-Benzyloxy-phenyl)-acetonitrile.



This reaction needs K2CO3 and Acetone by heating for 17 hours. The yield is 97 %.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. It is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2;
(2)InChIKey=AYKYOOPFBCOXSL-UHFFFAOYSA-N;
(3)Smilesc1(ccc(O)cc1)CC#N;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo subcutaneous 250mg/kg (250mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) Food and Cosmetics Toxicology. Vol. 18, Pg. 159, 1980.

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