2-Cyanomethylbenzoic acid methyl ester

Modify Date: 2024-01-14 09:54:24

2-Cyanomethylbenzoic acid methyl ester Structure
2-Cyanomethylbenzoic acid methyl ester structure
Common Name 2-Cyanomethylbenzoic acid methyl ester
CAS Number 5597-04-6 Molecular Weight 175.18400
Density 1.141g/cm3 Boiling Point 133 °C / 1.5mmHg
Molecular Formula C10H9NO2 Melting Point 49°C
MSDS N/A Flash Point 149.6ºC

 Names

Name Methyl 2-(cyanomethyl)benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.141g/cm3
Boiling Point 133 °C / 1.5mmHg
Melting Point 49°C
Molecular Formula C10H9NO2
Molecular Weight 175.18400
Flash Point 149.6ºC
Exact Mass 175.06300
PSA 50.09000
LogP 1.53928
Index of Refraction 1.53

 Safety Information

Hazard Codes T+
Risk Phrases R23/24/25
Safety Phrases S26-S36/37/39
RIDADR 2811
HS Code 2926909090

 Synthetic Route

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2-Cyanomethylbenzoic acid methyl ester Structure

2-Cyanomethylbe...

CAS#:5597-04-6

Literature: Journal of the Chemical Society, , p. 1311

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2-Cyanomethylbenzoic acid methyl ester Structure

2-Cyanomethylbe...

CAS#:5597-04-6

Literature: Journal of Medicinal Chemistry, , vol. 46, # 3 p. 345 - 348

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2-Cyanomethylbenzoic acid methyl ester Structure

2-Cyanomethylbe...

CAS#:5597-04-6

Detail
Literature: Heterocycles, , vol. 19, # 12 p. 2275 - 2278

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2-Cyanomethylbenzoic acid methyl ester Structure

2-Cyanomethylbe...

CAS#:5597-04-6

Literature: Journal of Medicinal Chemistry, , vol. 46, # 3 p. 345 - 348

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2-Cyanomethylbenzoic acid methyl ester Structure

2-Cyanomethylbe...

CAS#:5597-04-6

Detail
Literature: Kaneko, Chikara; Naito, Toshihiko; Miwa, Chiemi Heterocycles, 1982 , vol. 19, # 12 p. 2275 - 2278

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2-Cyanomethylbenzoic acid methyl ester Structure

2-Cyanomethylbe...

CAS#:5597-04-6

Literature: Helvetica Chimica Acta, , vol. 61, p. 1730 - 1755 Journal of the Chemical Society, , p. 2214,2216 Archiv der Pharmazie (Weinheim, Germany), , vol. 291, p. 560,565

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2-Cyanomethylbenzoic acid methyl ester Structure

2-Cyanomethylbe...

CAS#:5597-04-6

Literature: Helvetica Chimica Acta, , vol. 61, p. 1730 - 1755

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2-Cyanomethylbenzoic acid methyl ester Structure

2-Cyanomethylbe...

CAS#:5597-04-6

Literature: Chemische Berichte, , vol. 102, p. 3656 - 3665

 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-cyanomethylbenzoic acid methyl ester
MFCD01631304