2-Chloro-2,4,6-cycloheptatrien-1-one
2-Chloro-2,4,6-cycloheptatrien-1-one structure
|
Common Name | 2-Chloro-2,4,6-cycloheptatrien-1-one | ||
|---|---|---|---|---|
| CAS Number | 3839-48-3 | Molecular Weight | 140.567 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 250.8±29.0 °C at 760 mmHg | |
| Molecular Formula | C7H5ClO | Melting Point | 64-67ºC | |
| MSDS | Chinese USA | Flash Point | 102.7±15.4 °C | |
| Symbol |
GHS05, GHS07, GHS08 |
Signal Word | Danger | |
Summary: 2-Chloro-2,4,6-cycloheptatrien-1-one, also known as 2-氯-2,4,6-环庚三烯-1-酮, has a CAS number of 3839-48-3, with a molecular formula of C7H5ClO and a molecular weight of 140.567. It appears as a white to amber powder or crystal, with a melting point of 64-67°C and a boiling point of 250.8±29.0 °C. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Chloro-2,4,6-cycloheptatrien-1-one |
|---|---|
| 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 250.8±29.0 °C at 760 mmHg |
| Melting Point | 64-67ºC |
| Molecular Formula | C7H5ClO |
| Molecular Weight | 140.567 |
| Flash Point | 102.7±15.4 °C |
| Exact Mass | 140.002899 |
| PSA | 17.07000 |
| LogP | 0.85 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.559 |
| InChIKey | MTHNMAUDCHXFMM-UHFFFAOYSA-N |
| SMILES | O=c1cccccc1Cl |
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
|
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05, GHS07, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H314-H317-H334 |
| Precautionary Statements | P261-P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard Codes | Xn |
| RIDADR | UN3261 8/PG 3 |
| RTECS | GU4025000 |
| HS Code | 2914700090 |
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 | |
CAS#:533-75-5
CAS#:38768-08-0
CAS#:67382-58-5
CAS#:539-80-0
CAS#:698-18-0
CAS#:33739-60-5
CAS#:7719-09-7
CAS#:71-43-2
CAS#:4282-33-1![Bicyclo[3.2.2]nona-3,6,8-trien-2-one,3-chloro structure](https://image.chemsrc.com/caspic/095/112518-94-2.png)
CAS#:112518-94-2![(1S,4R,4aR,5R,9R,9aS)-dimethyl 5-chloro-6-oxo-4,4a,5,6,9,9a-hexahydro-1H-1,4-epoxy-5,9-ethenobenzo[7]annulene-2,3-dicarboxylate structure](https://image.chemsrc.com/caspic/481/112518-97-5.png)
CAS#:112518-97-5
CAS#:21505-25-9![1-phenylcyclohepta[b]pyrrol-2-one structure](https://image.chemsrc.com/caspic/156/303730-52-1.png)
CAS#:303730-52-1
CAS#:2745-07-5
CAS#:102119-72-2
CAS#:103003-37-8
CAS#:36044-37-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914700090 |
|---|---|
| Summary | HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Chlorocyclohepta-2,4,6-trien-1-one |
| 2-Chloro-2,4,6-cycloheptatrien-1-one |
| 2-Chlorotropone |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 2-Chloro-2,4,6-cycloheptatrien-1-one? |
| A: Molecular weight of 2-Chloro-2,4,6-cycloheptatrien-1-one is 140.567. |
| Q: What is the molecular formula of 2-Chloro-2,4,6-cycloheptatrien-1-one? |
| A: Molecular formula of 2-Chloro-2,4,6-cycloheptatrien-1-one is C7H5ClO. |
| Q: What is the boiling point of 2-Chloro-2,4,6-cycloheptatrien-1-one? |
| A: Boiling point of 2-Chloro-2,4,6-cycloheptatrien-1-one is 250.8±29.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 2-Chloro-2,4,6-cycloheptatrien-1-one? |
| A: InChIKey of 2-Chloro-2,4,6-cycloheptatrien-1-one is MTHNMAUDCHXFMM-UHFFFAOYSA-N. |
| Q: What English synonyms does 2-Chloro-2,4,6-cycloheptatrien-1-one have? |
| A: English synonyms of 2-Chloro-2,4,6-cycloheptatrien-1-one: 2-Chlorocyclohepta-2,4,6-trien-1-one, 2-Chloro-2,4,6-cycloheptatrien-1-one, 2-Chlorotropone. |
| Q: What is the LogP of 2-Chloro-2,4,6-cycloheptatrien-1-one? |
| A: LogP of 2-Chloro-2,4,6-cycloheptatrien-1-one is 0.85. |
| Q: What is the English name of 2-Chloro-2,4,6-cycloheptatrien-1-one? |
| A: The English name of 2-Chloro-2,4,6-cycloheptatrien-1-one is 2-Chloro-2,4,6-cycloheptatrien-1-one. |
| Q: What is the CAS number of 2-Chloro-2,4,6-cycloheptatrien-1-one? |
| A: CAS number of 2-Chloro-2,4,6-cycloheptatrien-1-one is 3839-48-3. |
| Q: What are the upstream materials of 2-Chloro-2,4,6-cycloheptatrien-1-one? |
| A: Related upstream materials(CAS) of 2-Chloro-2,4,6-cycloheptatrien-1-one: 533-75-5;38768-08-0;67382-58-5;539-80-0;698-18-0;33739-60-5;7719-09-7;71-43-2. |
| Q: What is the melting point of 2-Chloro-2,4,6-cycloheptatrien-1-one? |
| A: Melting point of 2-Chloro-2,4,6-cycloheptatrien-1-one is 64-67ºC. |
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. |