Benzene, 2-isocyano-1,3,5-trimethyl- (9CI)

Modify Date: 2025-10-05 13:38:53

Benzene, 2-isocyano-1,3,5-trimethyl- (9CI) Structure
Benzene, 2-isocyano-1,3,5-trimethyl- (9CI) structure
Common Name Benzene, 2-isocyano-1,3,5-trimethyl- (9CI)
CAS Number 57116-96-8 Molecular Weight 145.20100
Density N/A Boiling Point N/A
Molecular Formula C10H11N Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 2-isocyano-1,3,5-trimethylbenzene
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C10H11N
Molecular Weight 145.20100
Exact Mass 145.08900
LogP 2.39330
InChIKey PNLRXQFLTHXBIT-UHFFFAOYSA-N
SMILES [C-]#[N+]c1c(C)cc(C)cc1C

 Safety Information

HS Code 2926909090

 Synthetic Route

~70%

Benzene, 2-isocyano-1,3,5-trimethyl- (9CI) Structure

Benzene, 2-isoc...

CAS#:57116-96-8

Literature: BASF SE; BASF (CHINA) COMPANY LIMITED; HASHMI, A., Stephen K.; LOTHSCHUeTZ, Christian Patent: WO2012/56419 A1, 2012 ; Location in patent: Page/Page column 63 ;

~99%

Benzene, 2-isocyano-1,3,5-trimethyl- (9CI) Structure

Benzene, 2-isoc...

CAS#:57116-96-8

Literature: Bardsley, Kathryn; Hagigeorgiou, Michael; Lengyel, Istvan; Cesare, Victor Synthetic Communications, 2013 , vol. 43, # 12 p. 1727 - 1733

~%

Benzene, 2-isocyano-1,3,5-trimethyl- (9CI) Structure

Benzene, 2-isoc...

CAS#:57116-96-8

Literature: Hashmi, A. Stephen K.; Lothschuetz, Christian; Boehling, Constantin; Hengst, Tobias; Hubbert, Christoph; Rominger, Frank Advanced Synthesis and Catalysis, 2010 , vol. 352, # 17 p. 3001 - 3012

~98%

Benzene, 2-isocyano-1,3,5-trimethyl- (9CI) Structure

Benzene, 2-isoc...

CAS#:57116-96-8

Literature: Minoura, Mao; Kawashima, Takayuki; Okazaki, Renji Chemistry Letters, 1994 , # 9 p. 1691 - 1692

~0%

Benzene, 2-isocyano-1,3,5-trimethyl- (9CI) Structure

Benzene, 2-isoc...

CAS#:57116-96-8

Literature: Gruetzmacher, Hansjoerg; Freitag, Stefanie; Herbst-Irmer, Regine; Sheldrick, George M. Angewandte Chemie, 1992 , vol. 104, p. 459 - 461

 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

TOS-BB-0781
Mesitylisonitrile
2,4,6-trimethylphenyl isocyanide
2,4,6-Trimethylphenylisocyanid
Benzene,2-isocyano-1,3,5-trimethyl
2,4,6-trimethylphenyl isonitrile
2-mesityl isocyanide
2,4,6-mesityl isocyanide
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