Benzoic acid,3-isothiocyanato-
Benzoic acid,3-isothiocyanato- structure
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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 | |
| Name | 3-isothiocyanatobenzoic acid |
|---|---|
| Synonym | More Synonyms |
| 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 |
| InChIKey | PJRBPKOOGLKPFB-UHFFFAOYSA-N |
| SMILES | O=C(O)c1cccc(N=C=S)c1 |
| 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 |
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~95%
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-... 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 ; |
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~%
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 |
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~%
Benzoic acid,3-... CAS#:2131-63-7 |
| Literature: Justus Liebigs Annalen der Chemie, , vol. 169, p. 103 |
|
~%
Benzoic acid,3-... CAS#:2131-63-7 |
| Literature: Justus Liebigs Annalen der Chemie, , vol. 169, p. 103 |
|
~%
Benzoic acid,3-... CAS#:2131-63-7 |
| Literature: Justus Liebigs Annalen der Chemie, , vol. 169, p. 103 |
|
~%
Benzoic acid,3-... CAS#:2131-63-7 |
| Literature: Justus Liebigs Annalen der Chemie, , vol. 169, p. 103 |
| Precursor 6 | |
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| DownStream 3 | |
CAS#:37182-75-5
CAS#:3125-66-4
CAS#:1223-21-8| 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% |
| m-carboxyphenyl isothiocyanate |
| 3-isothiocyanato-benzoic acid |
| 3-Carboxy-phenylisothiocyanat |
| 3-Isothiocyanato-benzoesaeure |
| 3-Thiocarbonylamino-benzoesaeure |
| Benzoic acid,3-isothiocyanato |
| MFCD00041367 |
| 3-Carboxyphenyl isothiocyanate |