4-Hydroxyphenylacetonitrile

Names

[ 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

Biological Activity

[Description]:

4-Hydroxybenzyl cyanide is an endogenous metabolite.

[Related Catalog]:

Research Areas >> Metabolic Disease

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

DownStream

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...