2-(TERT-BUTOXYCARBONYL)PHENYL ISOTHIOCYANATE

Modify Date: 2025-12-07 11:16:54

2-(TERT-BUTOXYCARBONYL)PHENYL ISOTHIOCYANATE Structure
2-(TERT-BUTOXYCARBONYL)PHENYL ISOTHIOCYANATE structure
Common Name 2-(TERT-BUTOXYCARBONYL)PHENYL ISOTHIOCYANATE
CAS Number 890091-28-8 Molecular Weight 235.30200
Density N/A Boiling Point N/A
Molecular Formula C12H13NO2S Melting Point 43-46ºC
MSDS N/A Flash Point N/A

 Names

Name tert-butyl 2-isothiocyanatobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Melting Point 43-46ºC
Molecular Formula C12H13NO2S
Molecular Weight 235.30200
Exact Mass 235.06700
PSA 70.75000
LogP 3.37620
InChIKey BQNHOZJEFVHSSF-UHFFFAOYSA-N
SMILES CC(C)(C)OC(=O)c1ccccc1N=C=S

 Safety Information

Hazard Codes Xn: Harmful;
Risk Phrases 20/21/22-42
Safety Phrases 22-36/37-45

 Synthetic Route

~83%

2-(TERT-BUTOXYCARBONYL)PHENYL ISOTHIOCYANATE Structure

2-(TERT-BUTOXYC...

CAS#:890091-28-8

Literature: Mertens, Matthias D.; Pietsch, Markus; Schnakenburg, Gregor; Guetschow, Michael Journal of Organic Chemistry, 2013 , vol. 78, # 18 p. 8966 - 8979

~%

2-(TERT-BUTOXYCARBONYL)PHENYL ISOTHIOCYANATE Structure

2-(TERT-BUTOXYC...

CAS#:890091-28-8

Literature: Mertens, Matthias D.; Pietsch, Markus; Schnakenburg, Gregor; Guetschow, Michael Journal of Organic Chemistry, 2013 , vol. 78, # 18 p. 8966 - 8979

~%

2-(TERT-BUTOXYCARBONYL)PHENYL ISOTHIOCYANATE Structure

2-(TERT-BUTOXYC...

CAS#:890091-28-8

Literature: Mertens, Matthias D.; Pietsch, Markus; Schnakenburg, Gregor; Guetschow, Michael Journal of Organic Chemistry, 2013 , vol. 78, # 18 p. 8966 - 8979

~%

2-(TERT-BUTOXYCARBONYL)PHENYL ISOTHIOCYANATE Structure

2-(TERT-BUTOXYC...

CAS#:890091-28-8

Literature: Mertens, Matthias D.; Pietsch, Markus; Schnakenburg, Gregor; Guetschow, Michael Journal of Organic Chemistry, 2013 , vol. 78, # 18 p. 8966 - 8979

 Synonyms

2-(tert-Butoxycarbonyl)phenyl isothiocyanate
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