4-Methylbenzylisocyanate

Modify Date: 2024-01-02 19:40:46

4-Methylbenzylisocyanate Structure
4-Methylbenzylisocyanate structure
Common Name 4-Methylbenzylisocyanate
CAS Number 56651-57-1 Molecular Weight 147.17400
Density 1.052 g/mL at 25 °C(lit.) Boiling Point 55 °C0.5 mm Hg(lit.)
Molecular Formula C9H9NO Melting Point N/A
MSDS Chinese USA Flash Point 215 °F
Symbol GHS07 GHS08
GHS07, GHS08
Signal Word Danger

 Names

Name 4-Methylbenzyl isocyanate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.052 g/mL at 25 °C(lit.)
Boiling Point 55 °C0.5 mm Hg(lit.)
Molecular Formula C9H9NO
Molecular Weight 147.17400
Flash Point 215 °F
Exact Mass 147.06800
PSA 29.43000
LogP 1.83080
Index of Refraction n20/D 1.522(lit.)
Storage condition 2-8°C

 Safety Information

Symbol GHS07 GHS08
GHS07, GHS08
Signal Word Danger
Hazard Statements H302-H312-H315-H319-H332-H334-H335
Precautionary Statements P261-P280-P305 + P351 + P338-P342 + P311
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S36/37/39
RIDADR 2206
WGK Germany 3
HS Code 2929109000

 Synthetic Route

~99%

4-Methylbenzylisocyanate Structure

4-Methylbenzyli...

CAS#:56651-57-1

Literature: PHARMESTE S.R.L.; NAPOLETANO, Mauro; TREVISANI, Marcello; PAVANI, Maria Giovanna; FRUTTAROLO, Francesca Patent: WO2011/120604 A1, 2011 ; Location in patent: Page/Page column 116; 117 ; WO 2011/120604 A1

~71%

4-Methylbenzylisocyanate Structure

4-Methylbenzyli...

CAS#:56651-57-1

Literature: Kozhushko, B. N.; Lomakina, A. V.; Paliichuk, Yu. A.; Shokol, V. A. Journal of Organic Chemistry USSR (English Translation), 1984 , vol. 20, p. 654 - 660 Zhurnal Organicheskoi Khimii, 1984 , vol. 20, # 4 p. 721 - 727

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4-Methylbenzylisocyanate Structure

4-Methylbenzyli...

CAS#:56651-57-1

Literature: Organic and Biomolecular Chemistry, , vol. 1, # 8 p. 1354 - 1365

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4-Methylbenzylisocyanate Structure

4-Methylbenzyli...

CAS#:56651-57-1

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 11, # 13 p. 1691 - 1694

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4-Methylbenzylisocyanate Structure

4-Methylbenzyli...

CAS#:56651-57-1

Literature: Journal of Organic Chemistry, , vol. 77, # 4 p. 2087 - 2091

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4-Methylbenzylisocyanate Structure

4-Methylbenzyli...

CAS#:56651-57-1

Literature: Russian Journal of General Chemistry, , vol. 76, # 3 p. 469 - 477

~0%

Detail
Literature: Kozhushko, B. N.; Lomakina, A. V.; Paliichuk, Yu. A.; Shokol, V. A. Journal of Organic Chemistry USSR (English Translation), 1984 , vol. 20, p. 654 - 660 Zhurnal Organicheskoi Khimii, 1984 , vol. 20, # 4 p. 721 - 727

 Customs

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

 Articles2

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Yaws CL

The Yaws Handbook of Vapor Pressure: Antoine coefficients , (2015), 77

 Synonyms

1-(isocyanatomethyl)-4-methylbenzene
MFCD00673060
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