4-Hydroxyphenylacetonitrile

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Names

[ CAS No. ]:
14191-95-8

[ Name ]:
4-Hydroxyphenylacetonitrile

[Synonym ]:
4-Hydroxyphenylacetonitrile
Pentanoic acid, 5-[(aminoiminomethyl)amino]-2-oxo-
MFCD00002383
5-guanidino-2-oxopentanoic acid zwitterion
4-Hydroxybenzyl Cyanide
5-guanidino-2-oxopentanoic acid
2-(4-Hydroxyphenyl)acetonitrile
EINECS 238-046-0
5-Carbamimidamido-2-oxopentanoic acid

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
331.8±44.0 °C at 760 mmHg

[ Melting Point ]:
71°C

[ Molecular Formula ]:
HOC6H4CH2CN

[ Molecular Weight ]:
133.15

[ Flash Point ]:
154.5±28.4 °C

[ PSA ]:
44.02000

[ LogP ]:
-2.42

[ Vapour Pressure ]:
0.0±1.5 mmHg at 25°C

[ Index of Refraction ]:
1.579

[ Water Solubility ]:
slightly soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM0530000
CHEMICAL NAME :
Acetonitrile, (p-hydroxyphenyl)-
CAS REGISTRY NUMBER :
14191-95-8
BEILSTEIN REFERENCE NO. :
1934470
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H7-N-O
MOLECULAR WEIGHT :
133.16
WISWESSER LINE NOTATION :
QR D1CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Behavioral - muscle contraction or spasticity

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
86 mg/kg/24H (Continuous)
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 224,209,1989

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H312-H332

[ Precautionary Statements ]:
P280

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S36/37-S36/37/39-S26

[ RIDADR ]:
3439

[ WGK Germany ]:
3

[ RTECS ]:
AM0530000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (4-Methoxyphenyl)acetonitrile
  • methyl formate
  • 4-Hydroxybenzyl alcohol
  • N-(4-HYDROXYPHENYL)GLYCINE
  • Ethyl formate
  • 4-Hydroxybenzyl chloride
  • 4-Benzyloxyphenylacetonitrile
  • PROPYL FORMATE
  • H-Tyr-NH2
  • L-Tyrosine

DownStream

  • 4-butoxyphenylacetonitrile
  • 2-(4-butoxyphenyl)acetamide
  • 4-ethoxyphenylacetic acid
  • 4'-ethoxyphenylacetamide
  • Tyramine
  • 4,4'-(2,2'-azanediylbis(ethane-2,1-diyl))diphenol
  • p-Cresol
  • 4-Hydroxyphenylacetic acid
  • Genistein
  • p-hydroxyphenylacetamide

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Formation of trichloronitromethane and dichloroacetonitrile in natural waters: precursor characterization, kinetics and interpretation.

J. Hazard. Mater. 283 , 218-26, (2014)

During the chloramination of natural waters, both chloramines and dissolved organic nitrogen (DON) can serve as nitrogen sources for the formation of trichloronitromethane (TCNM) and dichloroacetonitr...

Supercritical fluid chromatography as a method of analysis for the determination of 4-hydroxybenzylglucosinolate degradation products.

J. Biochem. Biophys. Methods 43(1-3) , 157-74, (2000)

In the present study analytical and preparative supercritical fluid chromatography (SFC) were used for investigation of myrosinase catalysed degradation of 4-hydroxybenzylglucosinolate (sinalbin). Sin...

Tyrosinase kinetics: failure of the auto-activation mechanism of monohydric phenol oxidation by rapid formation of a quinomethane intermediate.

Biochem. J. 333 ( Pt 3) , 685-91, (1998)

When 3,4-dihydroxybenzylcyanide (DBC) is oxidized by mushroom tyrosinase, the first visible product, identified as the corresponding quinomethane, exhibits an absorption maximum at 480 nm. Pulse-radio...


More Articles

Related Compounds

  • 3-Ethoxy-4-hydroxyphenylacetonitrile
  • α-isopropyl-4-hydroxyphenylacetonitrile
  • 3,5-dimethyl-4-hydroxyphenylacetonitrile
  • 3,5-Dimethoxy-4-hydroxyphenylacetonitrile
  • 3,5-di-tert-butyl-4-hydroxyphenylacetonitrile
  • 4-O-Tetrahydropyranyl-4-hydroxyphenylacetonitrile
  • Methyl 3,6-dihydro-4-methyl-1(2H)-pyridinecarboxylate
  • Ethyl 1-[3-(benzenesulfonyl)-[1,2,3]triazolo[1,5-A]quinazolin-5-YL]piperidine-4-carboxylate
  • 5-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazoline
  • 5-(4-Benzylpiperidin-1-yl)-3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazoline
  • 5-[4-(4-Fluorophenyl)piperazin-1-yl]-3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazoline
  • Ethyl 1-[3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidine-3-carboxylate
  • 2-(3-chlorophenyl)-4-(3-methylbenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
  • 3-(Benzenesulfonyl)-N-(2-methylcyclohexyl)-[1,2,3]triazolo[1,5-A]quinazolin-5-amine
  • N-(3,5-dimethylphenyl)-8-methyl-2-(3-nitrophenyl)-9-oxo-3,9-dihydrothieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
  • Ethyl 4-(3,4-dihydroxyphenyl)-6-(((4-fluorophenyl)sulfonyl)methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
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