4-bromophenyl isothiocyanate
4-bromophenyl isothiocyanate structure
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Common Name | 4-bromophenyl isothiocyanate | ||
|---|---|---|---|---|
| CAS Number | 1985-12-2 | Molecular Weight | 214.082 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 280.1±23.0 °C at 760 mmHg | |
| Molecular Formula | C7H4BrNS | Melting Point | 56-58 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 123.2±22.6 °C | |
| Symbol |
GHS07, GHS08 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-bromo-4-isothiocyanatobenzene |
|---|---|
| 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 | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 280.1±23.0 °C at 760 mmHg |
| Melting Point | 56-58 °C(lit.) |
| Molecular Formula | C7H4BrNS |
| Molecular Weight | 214.082 |
| Flash Point | 123.2±22.6 °C |
| Exact Mass | 212.924774 |
| PSA | 44.45000 |
| LogP | 4.03 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.622 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302 + H312 + H332-H315-H319-H334-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338-P342 + P311 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xn,Xi,C |
| Risk Phrases | R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin . R42:May cause sensitization by inhalation. |
| Safety Phrases | S22-S26-S36/37-S45 |
| RIDADR | 2811 |
| WGK Germany | 3 |
| RTECS | NX8400000 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2930909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 10 | |
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CAS#:1028-39-3This 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 lists relevant public references with title, journal and publication metadata for this compound.
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Effect of thiol blocking agents on the binding of T3 and T4 in rat liver nuclear extract.
Acta Endocrinol. 98(1) , 68-72, (1981) Liver nuclei bind thyroid hormones (T3 and T4) with different binding affinities. In out studies it was estimated that the apparent association constant (Ka) in the liver nuclei for T3 was 8.8 X 10(10... |
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Selective and reversible inhibition of heart sarcolemmal (Na+ + K+)-ATPase by p-bromophenyl isothiocyanate. Evidence for a sulfhydryl group in the ATP-binding site of the enzyme.
Gen. Physiol. Biophys. 2(6) , 447-56, (1983) Isothiocyanates are potent modifiers of thiol groups, and they have been successfully applied in studying the active site structure of renal (Na+ + K+)-ATPase. However, very little has been known on i... |
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1-Aryl(glycofurano)imidazolidine-2-thiones derived from new 2-(alkylamino)-2-deoxyheptoses having d-glycero- d-galacto and d-glycero-d-talo configurations. Galbis Perez JA, et al.
Carbohydr. Res. 131(1) , 71-82, (1984)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00004808 |
| 4-bromophenyl isothiocyanate |
| 1-bromo-4-isothiocyanato-benzene |
| para-bromophenyl isothiocyanate |
| 1-bromo-4-thiocyanato-benzene |
| 1-Bromo-4-isothiocyanatobenzene |
| Benzene,1-bromo-4-isothiocyanato |
| p-Bromophenyl isothiocyanate |
| ISOTHIOCYANIC ACID,p-BROMOPHENYL ESTER |
| Trichofytocid |
| Isothiocyanic Acid 4-Bromophenyl Ester |
| Bromobenzene-4-isothiocyanate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for 1-bromo-4-isothiocyanatobenzene? |
| A: Safety information for 1-bromo-4-isothiocyanatobenzene: S22-S26-S36/37-S45. |
| Q: What English synonyms does 1-bromo-4-isothiocyanatobenzene have? |
| A: English synonyms of 1-bromo-4-isothiocyanatobenzene: MFCD00004808, 4-bromophenyl isothiocyanate, 1-bromo-4-isothiocyanato-benzene, para-bromophenyl isothiocyanate, 1-bromo-4-thiocyanato-benzene, 1-Bromo-4-isothiocyanatobenzene, Benzene,1-bromo-4-isothiocyanato, p-Bromophenyl isothiocyanate, ISOTHIOCYANIC ACID,p-BROMOPHENYL ESTER, Trichofytocid, Isothiocyanic Acid 4-Bromophenyl Ester, Bromobenzene-4-isothiocyanate. |
| Q: What is the boiling point of 1-bromo-4-isothiocyanatobenzene? |
| A: Boiling point of 1-bromo-4-isothiocyanatobenzene is 280.1±23.0 °C at 760 mmHg. |
| Q: What is the molecular formula of 1-bromo-4-isothiocyanatobenzene? |
| A: Molecular formula of 1-bromo-4-isothiocyanatobenzene is C7H4BrNS. |
| Q: What are the downstream products of 1-bromo-4-isothiocyanatobenzene? |
| A: Related downstream products(CAS) of 1-bromo-4-isothiocyanatobenzene: 5304-21-2;141300-20-1;140835-40-1;141300-30-3;20980-00-1;2059-75-8;2666-65-1;80945-86-4;139192-96-4;1028-39-3. |
| Q: What is the molecular weight of 1-bromo-4-isothiocyanatobenzene? |
| A: Molecular weight of 1-bromo-4-isothiocyanatobenzene is 214.082. |
| Q: What is the LogP of 1-bromo-4-isothiocyanatobenzene? |
| A: LogP of 1-bromo-4-isothiocyanatobenzene is 4.03. |
| Q: What is the CAS number of 1-bromo-4-isothiocyanatobenzene? |
| A: CAS number of 1-bromo-4-isothiocyanatobenzene is 1985-12-2. |
| Q: What is the polar surface area (PSA) of 1-bromo-4-isothiocyanatobenzene? |
| A: Polar surface area (PSA) of 1-bromo-4-isothiocyanatobenzene is 44.45000. |
| Q: What is the melting point of 1-bromo-4-isothiocyanatobenzene? |
| A: Melting point of 1-bromo-4-isothiocyanatobenzene is 56-58 °C(lit.). |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |