3-METHYLBENZYL ISOTHIOCYANATE

Modify Date: 2024-01-22 16:51:00

3-METHYLBENZYL ISOTHIOCYANATE Structure
3-METHYLBENZYL ISOTHIOCYANATE structure
Common Name 3-METHYLBENZYL ISOTHIOCYANATE
CAS Number 28115-86-8 Molecular Weight 177.22300
Density 1.11g/cm3 Boiling Point 285.7ºC at 760mmHg
Molecular Formula C9H7NOS Melting Point N/A
MSDS N/A Flash Point 126.6ºC

 Names

Name 3-Methylbenzoyl isothiocyanate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.11g/cm3
Boiling Point 285.7ºC at 760mmHg
Molecular Formula C9H7NOS
Molecular Weight 177.22300
Flash Point 126.6ºC
Exact Mass 177.02500
PSA 61.52000
LogP 2.23800
Vapour Pressure 0.00275mmHg at 25°C
Index of Refraction 1.576

 Safety Information

Risk Phrases 20/21/22-36/37/38
Safety Phrases 26-36/37/39
RIDADR UN 2810
HS Code 2930909090

 Synthetic Route

~82%

3-METHYLBENZYL ISOTHIOCYANATE Structure

3-METHYLBENZYL ...

CAS#:28115-86-8

Literature: Reeves, W. Preston; Simmons, Art; Rudis, John A.; Bothwell, Tim C. Synthetic Communications, 1981 , vol. 11, # 10 p. 781 - 786

~%

3-METHYLBENZYL ISOTHIOCYANATE Structure

3-METHYLBENZYL ...

CAS#:28115-86-8

Literature: Bai, Lin; Li, Shengying; Wang, Jin-Xian; Chen, Mingkai Synthetic Communications, 2002 , vol. 32, # 1 p. 127 - 132

~86%

3-METHYLBENZYL ISOTHIOCYANATE Structure

3-METHYLBENZYL ...

CAS#:28115-86-8

Literature: Kniezo, Ladislav; Bernat, Juraj Synthetic Communications, 1990 , vol. 20, # 4 p. 509 - 513

~%

3-METHYLBENZYL ISOTHIOCYANATE Structure

3-METHYLBENZYL ...

CAS#:28115-86-8

Literature: Saeed, Aamer; Khan, Muhammad Siraj; Rafique, Hummera; Shahid, Mohammad; Iqbal, Jamshed Bioorganic Chemistry, 2014 , vol. 52, p. 1 - 7

~%

3-METHYLBENZYL ISOTHIOCYANATE Structure

3-METHYLBENZYL ...

CAS#:28115-86-8

Literature: Zhang, Fenglong; Du, Jin; Wang, Qing; Hu, Qinghua; Zhang, Jiong; Ding, Dazhong; Zhao, Yaxue; Yang, Fei; Wang, Enduo; Zhou, Huchen Organic and Biomolecular Chemistry, 2013 , vol. 11, # 32 p. 5310 - 5324

~38%

3-METHYLBENZYL ISOTHIOCYANATE Structure

3-METHYLBENZYL ...

CAS#:28115-86-8

Literature: Kantlehner, Willi; Kapassakalidis, Johannis J.; Speh, Peter; Braeuner, Hans-Juergen Liebigs Annalen der Chemie, 1980 , # 3 p. 389 - 393

 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

3-methylbenzoyl isothiocyanate