2-Chlorobenzoyl isothiocyanate

Modify Date: 2024-01-13 18:05:47

2-Chlorobenzoyl isothiocyanate Structure
2-Chlorobenzoyl isothiocyanate structure
Common Name 2-Chlorobenzoyl isothiocyanate
CAS Number 5067-90-3 Molecular Weight 197.64100
Density 1.29g/cm3 Boiling Point 130 °C
Molecular Formula C8H4ClNOS Melting Point 130ºC
MSDS N/A Flash Point 135.1ºC

 Names

Name 2-Chlorobenzoyl isothiocyanate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.29g/cm3
Boiling Point 130 °C
Melting Point 130ºC
Molecular Formula C8H4ClNOS
Molecular Weight 197.64100
Flash Point 135.1ºC
Exact Mass 196.97000
PSA 61.52000
LogP 2.58300
Index of Refraction 1.606

 Safety Information

Hazard Codes Xi,C
Risk Phrases R20/21/22
Safety Phrases S26-S36/37/39
RIDADR 2927
HS Code 2930909090

 Synthetic Route

~99%

2-Chlorobenzoyl isothiocyanate Structure

2-Chlorobenzoyl...

CAS#:5067-90-3

Literature: Wei, Tai-Bao; Li, Man-Lin; Lin, Qi; Liu, Hong; Zhang, You-Ming Phosphorus, Sulfur and Silicon and the Related Elements, 2006 , vol. 181, # 7 p. 1583 - 1592

~84%

2-Chlorobenzoyl isothiocyanate Structure

2-Chlorobenzoyl...

CAS#:5067-90-3

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

~%

2-Chlorobenzoyl isothiocyanate Structure

2-Chlorobenzoyl...

CAS#:5067-90-3

Literature: Celamerck GmbH and Co. KG Patent: US4457943 A1, 1984 ;

~%

2-Chlorobenzoyl isothiocyanate Structure

2-Chlorobenzoyl...

CAS#:5067-90-3

Literature: Rajak, Harish; Behera, Chinmay K.; Pawar, Rajesh S.; Singour, Pradeep K.; Kharya, Murli Dhar Chinese Chemical Letters, 2010 , vol. 21, # 10 p. 1149 - 1152

 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

2-chlorobenzoyl isothiocyanate
MFCD00037829