(4-Methoxyphenyl)acetonitrile

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Names

[ CAS No. ]:
104-47-2

[ Name ]:
(4-Methoxyphenyl)acetonitrile

[Synonym ]:
EINECS 203-206-0
(4-Methoxyphenyl)acetonitrile
2-(4-methoxyphenyl)acetonitrile
(4-Methoxyphenyl) acetonitrile
Benzeneacetonitrile, 4-methoxy-
4-Methoxybenzyl cyanide
MFCD00001919

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
286.5±0.0 °C at 760 mmHg

[ Melting Point ]:
8 °C

[ Molecular Formula ]:
C9H9NO

[ Molecular Weight ]:
147.174

[ Flash Point ]:
112.0±14.3 °C

[ Exact Mass ]:
147.068420

[ PSA ]:
33.02000

[ LogP ]:
1.36

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.519

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM0810000
CHEMICAL NAME :
Acetonitrile, (p-methoxyphenyl)-
CAS REGISTRY NUMBER :
104-47-2
BEILSTEIN REFERENCE NO. :
0509162
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H9-N-O
MOLECULAR WEIGHT :
147.19
WISWESSER LINE NOTATION :
NC1R DO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#07882

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301

[ Precautionary Statements ]:
P301 + P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S26-S37/39-S36/37-S61-S45

[ RIDADR ]:
UN 3276 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
AM0810000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
29269095

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Methoxyphenylacetic acid
  • 1-methoxy-4-(2-nitroethyl)benzene
  • 4-Methoxyphenylethylamine
  • 4-Bromoanisole
  • (TRIFLUOROMETHYL)DICHLOROPHOSPHINE
  • Tetrabutylammonium cyanide
  • 4-Methoxybenzyl alcohol
  • Sodium cyanide

DownStream

  • 3,4-bis(4-methoxyphenyl)pyrrole-2,5-dione
  • 1-(4-Methoxyphenyl)cyclopentanecarboxylic acid
  • Cyclohexanecarbonitrile,1-(4-methoxyphenyl)-
  • biochanin A
  • 3-(4-methoxyphenyl)-2-phenylpropane-1,2-diamine
  • Formononetin
  • Genistein
  • 4,4,4-TRIFLUORO-2-(4-METHOXY-PHENYL)-3-OXO-BUTYRONITRILE
  • cis-4-ethylcyclohexanol
  • 1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-one

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

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Bioorg. Med. Chem. 17 , 3479-88, (2009)

We have investigated halogen-substituted non-steroidal estrogens with selective binding affinity for the estrogen receptor beta (ERbeta that might be used for imaging the levels of this ER-subtype in ...

Synthesis and structure-activity relationships of 2-alkylidenethiazolidine-4,5-diones as antibiotic agents.

Bioorg. Med. Chem. 13(14) , 4402-7, (2005)

2-Alkylidenethiazolidine-4,5-diones were prepared by novel one-pot cyclizations of arylacetonitriles with isothiocyanates and ethyl 2-chloro-2-oxoacetate. The products show antibiotic activity against...

Brominated benzeneacetonitriles, the dibromotyrosine metabolites from the sponge Psammaplysilla purpurea. Venkateswarlu Y and Chavakula R.

J. Nat. Prod. 58(7) , 1087-88, (1995)


More Articles

Related Compounds

  • (4-Methoxyphenyl)acetonitrile
  • bis(4-methoxyphenyl)acetonitrile
  • α-Bromo-α-(4-methoxyphenyl)acetonitrile
  • (1)-Acetyl(4-methoxyphenyl)acetonitrile
  • α-Chloro-α-(4-methoxyphenyl)acetonitrile
  • 2-hydroxy-2-(4-methoxyphenyl)acetonitrile
  • 2-(4-oxo-3,4-dihydroquinazolin-3-yl)-N-{[5-(2-oxopyrrolidin-1-yl)pyridin-3-yl]methyl}acetamide
  • N-{[5-(2-oxopyrrolidin-1-yl)pyridin-3-yl]methyl}-1,3-thiazole-4-carboxamide
  • 5-fluoro-N-{[5-(2-oxopyrrolidin-1-yl)pyridin-3-yl]methyl}pyridine-3-carboxamide
  • 1-[(3,4-Dimethoxyphenyl)methyl]-3-{[5-(2-oxopyrrolidin-1-yl)pyridin-3-yl]methyl}urea
  • 1-[(Naphthalen-1-yl)methyl]-3-{[5-(2-oxopyrrolidin-1-yl)pyridin-3-yl]methyl}urea
  • 3-chloro-2-methyl-N-{[5-(2-oxopyrrolidin-1-yl)pyridin-3-yl]methyl}benzene-1-sulfonamide
  • N-{[5-(2-oxopyrrolidin-1-yl)pyridin-3-yl]methyl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
  • 2,3,5,6-tetramethyl-N-{[5-(2-oxopyrrolidin-1-yl)pyridin-3-yl]methyl}benzene-1-sulfonamide
  • 1,2-dimethyl-N-{[5-(2-oxopyrrolidin-1-yl)pyridin-3-yl]methyl}-1H-imidazole-4-sulfonamide
  • 1-{[2-(2-Oxopyrrolidin-1-yl)pyridin-4-yl]methyl}-3-[(thiophen-2-yl)methyl]urea
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