1-tert-butyl-2-isocyanato-3-methylbenzene

Modify Date: 2025-08-25 15:10:25

1-tert-butyl-2-isocyanato-3-methylbenzene Structure
1-tert-butyl-2-isocyanato-3-methylbenzene structure
Common Name 1-tert-butyl-2-isocyanato-3-methylbenzene
CAS Number 13680-30-3 Molecular Weight 189.25400
Density 0.94g/cm3 Boiling Point 242ºC
Molecular Formula C12H15NO Melting Point 34-38ºC
MSDS N/A Flash Point 92.7ºC

 Names

Name 1-tert-butyl-2-isocyanato-3-methylbenzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.94g/cm3
Boiling Point 242ºC
Melting Point 34-38ºC
Molecular Formula C12H15NO
Molecular Weight 189.25400
Flash Point 92.7ºC
Exact Mass 189.11500
PSA 29.43000
LogP 3.25980
Vapour Pressure 0.0149mmHg at 25°C
Index of Refraction 1.498
InChIKey VCHAHDOWZAYVEM-UHFFFAOYSA-N
SMILES Cc1cccc(C(C)(C)C)c1N=C=O

 Safety Information

Hazard Codes Xn: Harmful;
Risk Phrases R20/22;R36/37/38;R42
Safety Phrases S22-S26-S36/37/39-S45
RIDADR UN 2811
Packaging Group III
Hazard Class 6.1
HS Code 2929109000

 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

MFCD00037033
2-tert-butyl-6-methylphenylisocyanate
2-TERT-BUTYL-6-METHYLPHENYL ISOCYANATE
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