ChemicalBook--->CAS DataBase List--->104-47-2

104-47-2

104-47-2 Structure

104-47-2 Structure
IdentificationMore
[Name]

4-Methoxybenzyl cyanide
[CAS]

104-47-2
[Synonyms]

2-(4-METHOXYPHENYL)ACETONITRILE
4-ANISYL CYANIDE
4-METHOXYBENZENEACETONITRILE
4-METHOXYBENZYL CYANIDE
(4-METHOXYPHENYL)ACETONITRILE
ANISYL CYANIDE
HOMOANISONITRILE
LABOTEST-BB LT00848055
P-ANISYLACETONITRILE
P-ANISYL CYANIDE
P-CYANOMETHYLANISOLE
P-CYANOMETHYLPHENOL METHYL ETHER
P-METHOXYBENZYL CYANIDE
(P-METHOXYPHENYL)ACETONITRILE
(methoxyphenyl)acetonitrile
(p-methoxyphenyl)-acetonitril
4-methoxy-benzeneacetonitril
4-Methoxyphenyl
4-Methoxyphenylacetic acid nitrile
Acetonitrile, (p-methoxypenyl)-
[EINECS(EC#)]

203-206-0
[Molecular Formula]

C9H9NO
[MDL Number]

MFCD00001919
[Molecular Weight]

147.17
[MOL File]

104-47-2.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless to slightly yellow liquid
[Melting point ]

8 °C
[Boiling point ]

286-287 °C (lit.)
[density ]

1.085 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.531(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

0.01g/l
[form ]

Liquid
[color ]

Clear colorless to slightly yellow
[Specific Gravity]

1.085
[PH]

4.5 (100g/l, H2O, 20℃)suspension
[explosive limit]

1.2-9.4%(V)
[BRN ]

509162
[Exposure limits]

NIOSH: IDLH 25 mg/m3
[InChIKey]

PACGLQCRGWFBJH-UHFFFAOYSA-N
[CAS DataBase Reference]

104-47-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzeneacetonitrile, 4-methoxy-(104-47-2)
[EPA Substance Registry System]

104-47-2(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H412
[Precautionary statements ]

P273-P301+P310+P330
[Hazard Codes ]

Xn,T,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R25:Toxic if swallowed.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36/37:Wear suitable protective clothing and gloves .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 3276 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

AM0810000
[F ]

8
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269095
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Methoxybenzylchloride
[Preparation Products]

Venlafaxine hydrochloride-->Venlafaxine-->2-(4-Methoxy-phenyl)-acetamidine-->2-(4-Methoxyphenyl)acetamidine hydrochloride-->2-p-Anisyl-1,3-indandione-->D,L N-Desmethylvenlafaxine-->2,3-Bis(4-hydroxyphenyl)-propionitrile-->1-(4-Methoxyphenyl)-1-cyclopropanecarboxylic acid-->Diethyl 4-methoxyphenyl malonate-->JW55-->2-(1-HydroxyCyclohexyl)-2-(4-MethoxyPhenyl)Acetonitrile-->N,N-dimethyl-4-methoxyphenylethylamine-->4',6-Dimethoxy-7-hydroxyisoflavone
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Methoxybenzyl cyanide(104-47-2).msds
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless to slightly yellow liquid
[Uses]

4-Methoxybenzyl cyanide is used in the biosynthesis of p-methoxyphenylacetic acid by immobilized Bacillus subtilis ZJB-063.
[Synthesis Reference(s)]

Journal of Medicinal Chemistry, 15, p. 214, 1972 DOI: 10.1021/jm00272a029
Synthesis, p. 40, 1987 DOI: 10.1055/s-1987-27834
[General Description]

4-Methoxyphenylacetonitrile has been isolated from the sponge Psammaplysilla purpurea.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Methoxybenzyl cyanide(104-47-2)MS
4-Methoxybenzyl cyanide(104-47-2)1HNMR
4-Methoxybenzyl cyanide(104-47-2)13CNMR
4-Methoxybenzyl cyanide(104-47-2)IR1
4-Methoxybenzyl cyanide(104-47-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

(4-Methoxyphenyl)acetonitrile, 97%(104-47-2)
[Alfa Aesar]

4-Methoxyphenylacetonitrile, 98%(104-47-2)
[Sigma Aldrich]

104-47-2(sigmaaldrich)
[TCI AMERICA]

4-Methoxyphenylacetonitrile,>97.0%(GC)(104-47-2)
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