ChemicalBook--->CAS DataBase List--->34688-71-6

34688-71-6

34688-71-6 Structure

34688-71-6 Structure
IdentificationMore
[Name]

2,4,6-Trimethylphenylacetonitrile
[CAS]

34688-71-6
[Synonyms]

2,4,6-TRIMETHYL BENZYL CYANIDE
2,4,6-TRIMETHYLPHENYLACETONITRILE
BENZENEACETONITRILE, 2,4,6-TRIMETHYL-
MESITYLACETONITRILE
Mesitylacetonitrile,98%
2-(2,4,6-Trimethylphenyl)acetonitrile
2,4,6-Trimethylbenzeneacetonitrile
[EINECS(EC#)]

252-151-9
[Molecular Formula]

C11H13N
[MDL Number]

MFCD00013815
[Molecular Weight]

159.23
[MOL File]

34688-71-6.mol
Chemical PropertiesBack Directory
[Appearance]

white to off-white crystals or crystalline powder
[Melting point ]

76-80 °C(lit.)
[Boiling point ]

120 °C (1 mmHg)
[density ]

1.0293 (rough estimate)
[refractive index ]

1.5466 (estimate)
[Fp ]

120°C/1mm
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

White to Off-White
[BRN ]

1942677
[Exposure limits]

NIOSH: IDLH 25 mg/m3
[InChI]

1S/C11H13N/c1-8-6-9(2)11(4-5-12)10(3)7-8/h6-7H,4H2,1-3H3
[InChIKey]

SDKQOGSGNPGPRN-UHFFFAOYSA-N
[SMILES]

Cc1cc(C)c(CC#N)c(C)c1
[CAS DataBase Reference]

34688-71-6(CAS DataBase Reference)
[NIST Chemistry Reference]

2,4,6-Trimethylbenzyl cyanide(34688-71-6)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
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
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269095
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,4,6-Trimethylphenylacetonitrile(34688-71-6).msds
Hazard InformationBack Directory
[Chemical Properties]

white to off-white crystals or crystalline powder
[Uses]

2-Mesitylacetonitrile, is an organic building block used in the synthesis of more complex compounds, such as Spiromesifen Metabolite (M225645). It can also be used in the novel synthetic route for the Anti-HIV Drug MC-1220 and its analogues.
[General Description]

2,4,6-Trimethylphenylacetonitrile is formed as an intermediate during the synthesis of mesitylacetic acid.
Spectrum DetailBack Directory
[Spectrum Detail]

2,4,6-Trimethylphenylacetonitrile(34688-71-6)MS
2,4,6-Trimethylphenylacetonitrile(34688-71-6)1HNMR
2,4,6-Trimethylphenylacetonitrile(34688-71-6)13CNMR
2,4,6-Trimethylphenylacetonitrile(34688-71-6)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,4,6-Trimethylbenzylcyanide, 90%(34688-71-6)
[Alfa Aesar]

Mesitylacetonitrile, 98%(34688-71-6)
[Sigma Aldrich]

34688-71-6(sigmaaldrich)
[TCI AMERICA]

2,4,6-Trimethylbenzyl Cyanide,>98.0%(GC)(34688-71-6)
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