dimethyl 5-isocyanatobenzene-1,3-dicarboxylate

Modify Date: 2025-09-18 18:46:14

dimethyl 5-isocyanatobenzene-1,3-dicarboxylate Structure
dimethyl 5-isocyanatobenzene-1,3-dicarboxylate structure
Common Name dimethyl 5-isocyanatobenzene-1,3-dicarboxylate
CAS Number 46828-05-1 Molecular Weight 235.19300
Density 1.24g/cm3 Boiling Point 350.3ºC at 760 mmHg
Molecular Formula C11H9NO5 Melting Point 106-109ºC(lit.)
MSDS Chinese USA Flash Point 164.1ºC
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name dimethyl 5-isocyanatobenzene-1,3-dicarboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.24g/cm3
Boiling Point 350.3ºC at 760 mmHg
Melting Point 106-109ºC(lit.)
Molecular Formula C11H9NO5
Molecular Weight 235.19300
Flash Point 164.1ºC
Exact Mass 235.04800
PSA 82.03000
LogP 1.22710
Index of Refraction 1.533
InChIKey JHCYWIFFIHXGAG-UHFFFAOYSA-N
SMILES COC(=O)c1cc(N=C=O)cc(C(=O)OC)c1

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H312-H315-H319-H332-H335
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn
Risk Phrases R20/22;R36/37/38;R42
Safety Phrases S22-S26-S36/37/39-S45
RIDADR UN 3335
HS Code 2929109000

 Synthetic Route

~%

dimethyl 5-isocyanatobenzene-1,3-dicarboxylate Structure

dimethyl 5-isoc...

CAS#:46828-05-1

Literature: Fuchs, Klaus; Eickmeier, Christian; Heine, Niklas; Peters, Stefan; Dorner-Ciossek, Cornelia; Handschuh, Sandra; Nar, Herbert; Klinder, Klaus Patent: US2010/144681 A1, 2010 ; Location in patent: Page/Page column 115 ; US 20100144681 A1

~%

dimethyl 5-isocyanatobenzene-1,3-dicarboxylate Structure

dimethyl 5-isoc...

CAS#:46828-05-1

Literature: I. G. Farbenind. Patent: DE732780 , 1938 ; DRP/DRBP Org.Chem. Full Text Show Details Winthrop Chem. Co. Patent: US2297024 , 1939 ;

~%

dimethyl 5-isocyanatobenzene-1,3-dicarboxylate Structure

dimethyl 5-isoc...

CAS#:46828-05-1

Literature: Du Pont de Nemours and Co. Patent: US2680730 , 1950 ;

~%

dimethyl 5-isocyanatobenzene-1,3-dicarboxylate Structure

dimethyl 5-isoc...

CAS#:46828-05-1

Literature: Du Pont de Nemours and Co. Patent: US2680730 , 1950 ;

 Customs

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

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 Synonyms

MFCD00037073
dimethyl 5-isocyanatoisophthalate
3,5-dicarbomethoxyphenyl isocyanate
3,5-dimethoxycarbonyl phenyl isocyanate
5-Isocyanato-isophthalsaeure-dimethylester
5-isocyanato-isophthalic acid dimethyl ester
3,5-bis(methoxycarbonyl)phenyl isocyanate
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