Benzoic acid,3-isothiocyanato-

Modify Date: 2024-01-05 18:55:48

Benzoic acid,3-isothiocyanato- Structure
Benzoic acid,3-isothiocyanato- structure
Common Name Benzoic acid,3-isothiocyanato-
CAS Number 2131-63-7 Molecular Weight 179.19600
Density 1.27g/cm3 Boiling Point 381.2ºC at 760mmHg
Molecular Formula C8H5NO2S Melting Point 165 °C
MSDS N/A Flash Point 184.4ºC

 Names

Name 3-isothiocyanatobenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.27g/cm3
Boiling Point 381.2ºC at 760mmHg
Melting Point 165 °C
Molecular Formula C8H5NO2S
Molecular Weight 179.19600
Flash Point 184.4ºC
Exact Mass 179.00400
PSA 81.75000
LogP 2.11910
Vapour Pressure 1.72E-06mmHg at 25°C
Index of Refraction 1.612

 Safety Information

Hazard Codes T+
Risk Phrases R20/22;R36/37/38
Safety Phrases S26-S36/37/39
RIDADR 2811
Packaging Group III
Hazard Class 6.1
HS Code 2930909090

 Synthetic Route

~95%

Benzoic acid,3-isothiocyanato- Structure

Benzoic acid,3-...

CAS#:2131-63-7

Literature: Nissan Chemical Industries, Ltd. Patent: EP2248800 A1, 2010 ; Location in patent: Page/Page column 8-9 ;

~95%

Benzoic acid,3-isothiocyanato- Structure

Benzoic acid,3-...

CAS#:2131-63-7

Literature: NISSAN CHEMICAL INDUSTRIES, LTD.; Takada, Junko; Iwamoto, Shunsuke; Nakano, Satoshi Patent: US2013/245305 A1, 2013 ; Location in patent: Paragraph 0067; 0068 ;

~%

Benzoic acid,3-isothiocyanato- Structure

Benzoic acid,3-...

CAS#:2131-63-7

Literature: Justus Liebigs Annalen der Chemie, , vol. 562, p. 75,1114 Journal of the Chemical Society, , p. 178

~%

Benzoic acid,3-isothiocyanato- Structure

Benzoic acid,3-...

CAS#:2131-63-7

Literature: Justus Liebigs Annalen der Chemie, , vol. 169, p. 103

~%

Benzoic acid,3-isothiocyanato- Structure

Benzoic acid,3-...

CAS#:2131-63-7

Literature: Justus Liebigs Annalen der Chemie, , vol. 169, p. 103

~%

Benzoic acid,3-isothiocyanato- Structure

Benzoic acid,3-...

CAS#:2131-63-7

Literature: Justus Liebigs Annalen der Chemie, , vol. 169, p. 103

~%

Benzoic acid,3-isothiocyanato- Structure

Benzoic acid,3-...

CAS#:2131-63-7

Literature: Justus Liebigs Annalen der Chemie, , vol. 169, p. 103

 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

m-carboxyphenyl isothiocyanate
3-isothiocyanato-benzoic acid
3-Carboxy-phenylisothiocyanat
3-Isothiocyanato-benzoesaeure
3-Thiocarbonylamino-benzoesaeure
Benzoic acid,3-isothiocyanato
MFCD00041367
3-Carboxyphenyl isothiocyanate