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2024-83-1

2024-83-1 Structure

2024-83-1 Structure
IdentificationMore
[Name]

2,3-DIMETHOXYBENZONITRILE
[CAS]

2024-83-1
[Synonyms]

2,3-DIMETHOXYBENZONITRILE
2-VERATRONITRILE
3,2-DIMETHOXYBENZONITRILE
3,4-DIMETHOXYBENZONITRILE
3-CYANOVERATROLE
4-CYANO-1,2-DIMETHOXYBENZENE
4-CYANOVERATROLE
AKOS B004317
AKOS BBS-00004470
BENZONITRILE, 2,3-DIMETHOXY-
LABOTEST-BB LT00159775
O-VERATRONITRILE
VERATRONITRILE
3,4-Dimethoxy-benzonitril
3,4-DIMETHOXYBENZONITRILE, 99+%
3.4-Dimethoxybenzonitrile,98%
3,4-Dimethoxybenzonitrile97.5%
3,4-DIMETHOXYBENZONITRILE/3,4-DIMETHOXYLPHENYL CYANIDE
[EINECS(EC#)]

217-969-2
[Molecular Formula]

C9H9NO2
[MDL Number]

MFCD00001784
[Molecular Weight]

163.17
[MOL File]

2024-83-1.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

68-70 °C(lit.)
[Boiling point ]

290.25°C (rough estimate)
[density ]

1.2021 (rough estimate)
[refractive index ]

1.5300 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Soluble in methanol.
[form ]

powder to crystal
[color ]

White to Light yellow
[BRN ]

1451651
[InChI]

1S/C9H9NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,1-2H3
[InChIKey]

OSEQIDSFSBWXRE-UHFFFAOYSA-N
[SMILES]

COc1ccc(cc1OC)C#N
[CAS DataBase Reference]

2024-83-1(CAS DataBase Reference)
Safety DataBack Directory
[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 .
[Safety Statements ]

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 ]

DI4355000
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2926907090
[Storage Class]

11 - Combustible Solids
[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]

Hydroxylamine hydrochloride
[Preparation Products]

Veratrylamine-->3,4-Dihydroxybenzonitrile-->bis(3,4-dimethoxybenzyl)amine-->5-(Chloromethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

3,4-Dimethoxybenzonitrile is used as an organic chemical synthesis intermediate.
[Preparation]

Veratraldoxime(88–89 g, 0.45 mol) was combined with acetic anhydride (100 g) in a 300-mL round-bottomed flask equipped with a ground-glass air condenser, and the mixture was cautiously heated. A vigorous reaction took place, at which point the flame (heating by oil bath; the author) was removed. After the reaction had subsided, the solution was gently refluxed for 2 h and then carefully poured, with stirring, into cold water (300 mL). Stirring was continued, and on cooling the nitrile separated as small, almost colorless crystals; these were collected by filtration and dried in air. The veratronitrile thus obtained was quite pure; yield 57–62 g (72–76%); mp 66–67 C°.
2024-83-1 synthesis
1-Cyanoacenaphthene 1403 can be synthesized from its carbaldoxime by dehydration with acetic anhydride in 87% yield. Whereas acetic anhydride usually serves as the solvent as well as the reactant, this procedure is performed in n-octane.
[Synthesis Reference(s)]

Synthesis, p. 510, 1985 DOI: 10.1055/s-1985-31253
Spectrum DetailBack Directory
[Spectrum Detail]

2,3-DIMETHOXYBENZONITRILE(2024-83-1)MS
2,3-DIMETHOXYBENZONITRILE(2024-83-1)1HNMR
2,3-DIMETHOXYBENZONITRILE(2024-83-1)13CNMR
2,3-DIMETHOXYBENZONITRILE(2024-83-1)IR1
2,3-DIMETHOXYBENZONITRILE(2024-83-1)IR2
2,3-DIMETHOXYBENZONITRILE(2024-83-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,4-Dimethoxybenzonitrile, 97%(2024-83-1)
[Alfa Aesar]

3,4-Dimethoxybenzonitrile, 98+%(2024-83-1)
[Sigma Aldrich]

2024-83-1(sigmaaldrich)
[TCI AMERICA]

3,4-Dimethoxybenzonitrile,>98.0%(GC)(2024-83-1)
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