ChemicalBook--->CAS DataBase List--->51632-29-2

51632-29-2

51632-29-2 Structure

51632-29-2 Structure
IdentificationMore
[Name]

3-PHENOXYPHENYLACETONITRILE
[CAS]

51632-29-2
[Synonyms]

2-(3-PHENOXYPHENYL)ACETONITRILE
3-PHENOXYPHENYLACETONITRILE
(m-phenoxyphenyl)-acetonitril
(m-Phenoxyphenyl)acetonitrile
3-phenoxy-benzeneacetonitril
3-Phenoxybenzeneacetonitrile
3-Phenoxybenzyl cyanide
3-phenoxybenzylcyanide
Benzeneacetonitrile, 3-phenoxy-
m-Phenoxybenzyl cyanide
m-phenoxybenzylcyanide
[EINECS(EC#)]

622-931-7
[Molecular Formula]

C14H11NO
[MDL Number]

MFCD00016393
[Molecular Weight]

209.24
[MOL File]

51632-29-2.mol
Chemical PropertiesBack Directory
[Boiling point ]

137 °C/0.3 mmHg (lit.)
[density ]

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

n20/D 1.578(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Oil
[color ]

Colourless
[BRN ]

2106883
[InChI]

1S/C14H11NO/c15-10-9-12-5-4-8-14(11-12)16-13-6-2-1-3-7-13/h1-8,11H,9H2
[InChIKey]

DKGMALJGFUHPGB-UHFFFAOYSA-N
[SMILES]

N#CCc1cccc(Oc2ccccc2)c1
[CAS DataBase Reference]

51632-29-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,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 .
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

3276
[WGK Germany ]

3
[RTECS ]

AM1370000
[TSCA ]

T
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2926907090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Tetrahydrofuran-->Thionyl chloride-->Ammonia-->Acetonitrile-->Carbon tetrachloride-->Magnesium-->Dimethyl sulfoxide-->Carbon dioxide-->N-Bromosuccinimide-->Phosphorus pentoxide-->Copper(I) Cyanide-->AIBN-->18-Crown-6-->3-Phenoxytoluene-->Benzenemethanol, 3-phenoxy-, 1-methanesulfonate-->1-(Bromomethyl)-3-phenoxybenzene
[Preparation Products]

Fenvalerate
Hazard InformationBack Directory
[Chemical Properties]

The boiling point is 137°C/41Pa (0.3mmHg). The relative density is 1.124. The flash point is greater than 110°C.
[Uses]

3-Phenoxyphenylacetonitrile is a useful compound in the preparation of pyrimidine derivatives as inhibitors of N-acylphosphatidylethanolamine phospholipase D (NAPE-PLD).
[General Description]

Synthesis of 3-phenoxyphenylacetonitrile has been reported.
Spectrum DetailBack Directory
[Spectrum Detail]

3-PHENOXYPHENYLACETONITRILE(51632-29-2)1HNMR
3-PHENOXYPHENYLACETONITRILE(51632-29-2)IR
3-PHENOXYPHENYLACETONITRILE(51632-29-2)FT-IR
3-PHENOXYPHENYLACETONITRILE(51632-29-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Phenoxyphenylacetonitrile, 98%(51632-29-2)
[Sigma Aldrich]

51632-29-2(sigmaaldrich)
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