1-tert-Butyl-4-isothiocyanatomethylbenzene

Modify Date: 2025-08-25 11:30:42

1-tert-Butyl-4-isothiocyanatomethylbenzene Structure
1-tert-Butyl-4-isothiocyanatomethylbenzene structure
Common Name 1-tert-Butyl-4-isothiocyanatomethylbenzene
CAS Number 31088-81-0 Molecular Weight 205.31900
Density 0.96 Boiling Point 296.2ºC at 760 mmHg
Molecular Formula C12H15NS Melting Point N/A
MSDS N/A Flash Point 137.1ºC

 Names

Name 1-tert-butyl-4-(isothiocyanatomethyl)benzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.96
Boiling Point 296.2ºC at 760 mmHg
Molecular Formula C12H15NS
Molecular Weight 205.31900
Flash Point 137.1ºC
Exact Mass 205.09300
PSA 44.45000
LogP 3.58690
Index of Refraction 1.527

 Safety Information

HS Code 2930909090

 Synthetic Route

~68%

1-tert-Butyl-4-isothiocyanatomethylbenzene Structure

1-tert-Butyl-4-...

CAS#:31088-81-0

Literature: Suh, Young Ger; Oh, Uh Taek; Kim, Hee Doo; Lee, Jee Woo; Park, Hyeung Geun; Park, Ok Hui; Lee, Yong Sil; Park, Young Ho; Joo, Yung Hyup; Choi, Jin Kyu; Lim, Kyung Min; Kim, Sun Young; Kim, Jin Kwan; Koh, Hyun Ju; Moh, Joo Hyun; Jeong, Yeon Su; Yi, Jung Bum; Oh, Young Im Patent: US2003/153596 A1, 2003 ;

~67%

1-tert-Butyl-4-isothiocyanatomethylbenzene Structure

1-tert-Butyl-4-...

CAS#:31088-81-0

Literature: Wrigglesworth, Roger; Walpole, Christopher S. J.; Bevan, Stuart; Campbell, Elizabeth A.; Dray, Andy; Hughes, Glyn A.; James, Iain; Masdin, Kay J.; Winter, Janet Journal of Medicinal Chemistry, 1996 , vol. 39, # 25 p. 4942 - 4951

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

4-t-BuPhCH2NCS
para-tbutylbenzyl-isothiocyanate
1-tert-Butyl-4-isothiocyanatomethyl-benzene
A5644
1-tert-butyl-4-isothiocyanomethyl benzene
4-t-butylbenzyl isothiocyanate
4-tert-Butylbenzyl isothiocyanate
1-tert-Butyl-4-isothiocyanatomethylbenzene
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