HuagongsheHuagongshe Chemistry Print Report · For research reference only
7-Bromo-4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one
7-Bromo-4,4-dimethyl-1-tetralone · 7-BroMo-4,4-diMethyl-3,4-dihydronaphthalen-1-one · 7-BroMo-3,4-dihydro-4,4-diMethylnaphthalen-1(2H)-one · 7-broMo-4,4-diMethyl-3,4-dihydronaphthalen-1(2H)-one · 7-Bromo-4,4-dimethyl-3,4-dihydro-2H-naphthalen-1-one · 1(2H)-Naphthalenone, 7-bromo-3,4-dihydro-4,4-dimethyl- · 7-bromo-4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one · 7-BroMo-4,4-diMethyl-1-oxo-1,2,3,4-tetrahydronaphthalene
Identifiers & Physical Properties
| CAS No. | 166978-46-7 |
|---|---|
| Molecular formula | C12H13BrO |
| Average molar mass | 253.13 g/mol |
| Monoisotopic mass | 252.01497714 g/mol |
| SMILES | CC1(C)CCC(=O)c2cc(Br)ccc21 |
| InChIKey | QZSBQGIPLDEDIX-UHFFFAOYSA-N |
| PubChem CID | 10753357 |
| EC No. | 839-253-4 |
| DTXSID | DTXSID80444448 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 247 |
| Melting point | 56-57 °C |
| Boiling point | 325.6±41.0 °C(Predicted) |
| Density | 1.351±0.06 g/cm3(Predicted) |
| Storage conditions | Refrigerator |
| Solubility | Chloroform, Dichloromethane, Ethyl Acetate |
| Physical state | Solid |
| Color | Pale Yellow |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H319-H315-H302-H335 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H319-H315-H302-H335 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
Applications & Uses
Uses
Intermediate in the production of high affinity retinoic acid receptor (RAR) antagonists.