3-Chlorobenzyl isothiocyanate
3-Chlorobenzyl isothiocyanate structure
|
Common Name | 3-Chlorobenzyl isothiocyanate | ||
|---|---|---|---|---|
| CAS Number | 3694-58-4 | Molecular Weight | 183.65800 | |
| Density | 1.18g/cm3 | Boiling Point | 140 °C | |
| Molecular Formula | C8H6ClNS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 122.4ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Chlorobenzyl isothiocyanate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.18g/cm3 |
|---|---|
| Boiling Point | 140 °C |
| Molecular Formula | C8H6ClNS |
| Molecular Weight | 183.65800 |
| Flash Point | 122.4ºC |
| Exact Mass | 182.99100 |
| PSA | 44.45000 |
| LogP | 2.94280 |
| Index of Refraction | 1.581 |
| InChIKey | GGNLZOLEJMSOKU-UHFFFAOYSA-N |
| SMILES | S=C=NCc1cccc(Cl)c1 |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | T |
|---|---|
| Risk Phrases | R20/21/22 |
| Safety Phrases | S26-S36/37/39-S45 |
| RIDADR | 2810 |
| HS Code | 2930909090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
CAS#:463-71-8
CAS#:4152-90-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| 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% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: Renoprotective activity against cisplatin-induced cytotoxicity in pig LLC-PK1 cells a...
Source: ChEMBL
Target: LLC-PK1
External Id: CHEMBL3583457
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-chloro-3-(isothiocyanatomethyl)benzene |
| MFCD00046820 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 3-Chlorobenzyl isothiocyanate? |
| A: The English name of 3-Chlorobenzyl isothiocyanate is 3-Chlorobenzyl isothiocyanate. |
| Q: What is the boiling point of 3-Chlorobenzyl isothiocyanate? |
| A: Boiling point of 3-Chlorobenzyl isothiocyanate is 140 °C. |
| Q: What is the polar surface area (PSA) of 3-Chlorobenzyl isothiocyanate? |
| A: Polar surface area (PSA) of 3-Chlorobenzyl isothiocyanate is 44.45000. |
| Q: What English synonyms does 3-Chlorobenzyl isothiocyanate have? |
| A: English synonyms of 3-Chlorobenzyl isothiocyanate: 1-chloro-3-(isothiocyanatomethyl)benzene, MFCD00046820. |
| Q: What are the upstream materials of 3-Chlorobenzyl isothiocyanate? |
| A: Related upstream materials(CAS) of 3-Chlorobenzyl isothiocyanate: 463-71-8;4152-90-3. |
| Q: What is the safety information for 3-Chlorobenzyl isothiocyanate? |
| A: Safety information for 3-Chlorobenzyl isothiocyanate: S26-S36/37/39-S45. |
| Q: What is the SMILES notation of 3-Chlorobenzyl isothiocyanate? |
| A: SMILES notation of 3-Chlorobenzyl isothiocyanate is S=C=NCc1cccc(Cl)c1. |
| Q: What is the CAS number of 3-Chlorobenzyl isothiocyanate? |
| A: CAS number of 3-Chlorobenzyl isothiocyanate is 3694-58-4. |
| Q: What is the InChIKey of 3-Chlorobenzyl isothiocyanate? |
| A: InChIKey of 3-Chlorobenzyl isothiocyanate is GGNLZOLEJMSOKU-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 3-Chlorobenzyl isothiocyanate? |
| A: Molecular formula of 3-Chlorobenzyl isothiocyanate is C8H6ClNS. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |