Benzeneacetonitrile,3,4-dimethyl-

Modify Date: 2025-08-25 12:51:29

Benzeneacetonitrile,3,4-dimethyl- Structure
Benzeneacetonitrile,3,4-dimethyl- structure
 Common Name Benzeneacetonitrile,3,4-dimethyl-
CAS Number 3020-06-2 Molecular Weight 145.20100
Density 0.979g/cm3 Boiling Point 260.7ºC at 760mmHg
Molecular Formula C10H11N Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3,4-Dimethylphenylacetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.979g/cm3
Boiling Point 260.7ºC at 760mmHg
Molecular Formula C10H11N
Molecular Weight 145.20100
Exact Mass 145.08900
PSA 23.79000
LogP 2.36948
Index of Refraction 1.524
InChIKey XNSHCUIBMZSUGL-UHFFFAOYSA-N
SMILES Cc1ccc(CC#N)cc1C

 Safety Information

Hazard Codes Xn
Risk Phrases 20/21/22-36/37/38
Safety Phrases 26-36/37/39
RIDADR UN 3276
HS Code 2926909090

 Synthetic Route

Sodium cyanide structure

Sodium cyanide

CAS#:143-33-9

3,4-Dimethylbenzyl chloride structure

3,4-Dimethylben...

CAS#:102-46-5

~97%

Benzeneacetonitrile,3,4-dimethyl- Structure

Benzeneacetonit...

CAS#:3020-06-2

Literature: Lee, Jeewoo; Kim, Su Yeon; Park, Soyoung; Lim, Ju-Ok; Kim, Ji-Min; Kang, Myungshim; Lee, Jiyoun; Kang, Sang-Uk; Choi, Hyun-Kyung; Jin, Mi-Kyung; Welter, Jacqueline D.; Szabo, Tamas; Tran, Richard; Pearce, Larry V.; Toth, Attila; Blumberg, Peter M. Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 5 p. 1055 - 1069
o-xylene structure

o-xylene

CAS#:95-47-6

~%

Benzeneacetonitrile,3,4-dimethyl- Structure

Benzeneacetonit...

CAS#:3020-06-2

Literature: Benington,F. et al. Journal of Organic Chemistry, 1960 , vol. 25, p. 2066 - 2067
2-(3,4-Dimethylphenyl)acetamide structure

2-(3,4-Dimethyl...

CAS#:17283-17-9

~%

Benzeneacetonitrile,3,4-dimethyl- Structure

Benzeneacetonit...

CAS#:3020-06-2

Literature: Beasley,J.G.; Burger,A. Journal of Medicinal Chemistry, 1964 , vol. 7, p. 686 - 689
(3,4-Dimethylphenyl)acetic acid structure

(3,4-Dimethylph...

CAS#:17283-16-8

~%

Benzeneacetonitrile,3,4-dimethyl- Structure

Benzeneacetonit...

CAS#:3020-06-2

Literature: Beasley,J.G.; Burger,A. Journal of Medicinal Chemistry, 1964 , vol. 7, p. 686 - 689
3,4-Dimethylbromobenzene structure

3,4-Dimethylbro...

CAS#:583-71-1

Acetonitrile structure

Acetonitrile

CAS#:75-05-8

~%

Benzeneacetonitrile,3,4-dimethyl- Structure

Benzeneacetonit...

CAS#:3020-06-2

2-(2,3-dimethylphenyl)acetonitrile structure

2-(2,3-dimethyl...

CAS#:76574-43-1

Literature: Biehl, Edward R.; Razzuk, Aziz; Jovanovic, Misa V.; Khanapure, Subhash P. Journal of Organic Chemistry, 1986 , vol. 51, # 26 p. 5157 - 5160
N,N,N-Triethylethanaminium cyanide structure

N,N,N-Triethyle...

CAS#:13435-20-6

3,4-Dimethylbenzyl chloride structure

3,4-Dimethylben...

CAS#:102-46-5

~%

Benzeneacetonitrile,3,4-dimethyl- Structure

Benzeneacetonit...

CAS#:3020-06-2

Literature: Macchia, B.; Macchia, M.; Manera, C.; Martinotti, E.; Nancetti, S.; et al. European Journal of Medicinal Chemistry, 1995 , vol. 30, # 11 p. 869 - 880
N/A structure

N/A

CAS#:99749-00-5

~%

Benzeneacetonitrile,3,4-dimethyl- Structure

Benzeneacetonit...

CAS#:3020-06-2

2-(2,3-dimethylphenyl)acetonitrile structure

2-(2,3-dimethyl...

CAS#:76574-43-1

Literature: Kuendig, E. Peter; Grivet, Chantal; Wenger, Eric; Bernardinelli, Gerald; Williams, Alan F. Helvetica Chimica Acta, 1991 , vol. 74, # 8 p. 2009 - 2023

 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%

 Synonyms

2-(3,4-dimethylphenyl)acetonitrile
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