Methyl3-isocyanatobenzoate

Modify Date: 2024-01-14 06:19:42

Methyl3-isocyanatobenzoate Structure
Methyl3-isocyanatobenzoate structure
Common Name Methyl3-isocyanatobenzoate
CAS Number 41221-47-0 Molecular Weight 177.15700
Density 1.15g/cm3 Boiling Point 271.4ºC at 760 mmHg
Molecular Formula C9H7NO3 Melting Point 35-38 °C(lit.)
MSDS Chinese USA Flash Point >230 °F
Symbol GHS08
GHS08
Signal Word Danger

 Names

Name methyl 3-isocyanatobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.15g/cm3
Boiling Point 271.4ºC at 760 mmHg
Melting Point 35-38 °C(lit.)
Molecular Formula C9H7NO3
Molecular Weight 177.15700
Flash Point >230 °F
Exact Mass 177.04300
PSA 55.73000
LogP 1.44050
Index of Refraction 1.528
Storage condition 0-6°C

 Safety Information

Symbol GHS08
GHS08
Signal Word Danger
Hazard Statements H334
Precautionary Statements P261-P342 + P311
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes Xi: Irritant;
Risk Phrases R43
Safety Phrases S36/37
RIDADR 2811
WGK Germany 3
Packaging Group III
Hazard Class 6.1
HS Code 2929109000

 Synthetic Route

~97%

Methyl3-isocyanatobenzoate Structure

Methyl3-isocyan...

CAS#:41221-47-0

Literature: ANORMED INC. Patent: WO2006/138350 A2, 2006 ; Location in patent: Page/Page column 170 ; WO 2006/138350 A2

~%

Methyl3-isocyanatobenzoate Structure

Methyl3-isocyan...

CAS#:41221-47-0

Literature: Walpole; Ko; Brown; Beattie; Campbell; Dickenson; Ewan; Hughes; Lemaire; Lerpiniere; Patel; Urban Journal of Medicinal Chemistry, 1998 , vol. 41, # 17 p. 3159 - 3173

~%

Methyl3-isocyanatobenzoate Structure

Methyl3-isocyan...

CAS#:41221-47-0

Literature: Vinogradova, Ekaterina V.; Fors, Brett P.; Buchwald, Stephen L. Journal of the American Chemical Society, 2012 , vol. 134, # 27 p. 11132 - 11135

~95%

Methyl3-isocyanatobenzoate Structure

Methyl3-isocyan...

CAS#:41221-47-0

Literature: Aravapalli, Sridhar; Lai, Huiguo; Teramoto, Tadahisa; Alliston, Kevin R.; Lushington, Gerald H.; Ferguson, Eron L.; Padmanabhan; Groutas, William C. Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 13 p. 4140 - 4148

~%

Methyl3-isocyanatobenzoate Structure

Methyl3-isocyan...

CAS#:41221-47-0

Literature: Satoh, Masato; Okamoto, Yoshinori; Koshio, Hiroyuki; Ohta, Mitsuaki; Nishida, Akito; Akuzawa, Shinobu; Miyata, Keiji; Mase, Toshiyasu; Semple, Graeme Chemical and Pharmaceutical Bulletin, 1996 , vol. 44, # 7 p. 1412 - 1414

~%

Methyl3-isocyanatobenzoate Structure

Methyl3-isocyan...

CAS#:41221-47-0

Literature: Lebedev; Lebedeva; Sheludyakov; Ovcharuk; Kovaleva; Ustinova Russian Journal of General Chemistry, 2006 , vol. 76, # 7 p. 1069 - 1080

~%

Methyl3-isocyanatobenzoate Structure

Methyl3-isocyan...

CAS#:41221-47-0

Literature: Temal, Taoues; Jary, Helene; Auberval, Marielle; Lively, Sarah; Guedin, Denis; Vevert, Jean-Paul; Deprez, Pierre Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 8 p. 2451 - 2454

 Customs

HS Code 2929109000
Summary 2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

3-(Methoxycarbonyl)phenyl isocyanate
m-methoxycarbonylphenyl isocyanate
3-Isocyanato-benzoesaeure-methylester
3-isocyanato-benzoic acid methyl ester
MFCD00037077
3-carbomethoxyphenylisocyanate