HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(Bromomethyl)-1-cyclohexyl-2-(trifluoromethyl)benzene
SIPO-009 · 4-Cyclohexyl-3-(trifluoromethyl)benzyl Bromide · 4-Bromomethyl-cyclohexy2-trifluoro-methybenzene · 4-(bromomethyl)-1-cyclohexyl-2-(trifluoromethyl)benzene · Benzene, 4-(bromomethyl)-1-cyclohexyl-2-(trifluoromethyl)- · 4-(bromomethyl)-1-cyclohexyl-2-(trifluoromethyl)benzene - [B87450]
Identifiers & Physical Properties
| CAS No. | 800381-60-6 |
|---|---|
| Molecular formula | C14H16BrF3 |
| Average molar mass | 321.18 g/mol |
| Monoisotopic mass | 320.03875 g/mol |
| SMILES | FC(F)(F)c1cc(CBr)ccc1C1CCCCC1 |
| InChIKey | ZPIIIWNFODYJJO-UHFFFAOYSA-N |
| PubChem CID | 22057749 |
| EC No. | 849-160-0 |
Chemical & Physical Properties
| XLogP | 5.9 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 258 |
| Boiling point | 322.9±37.0 °C(Predicted) |
| Density | 1.374±0.06 g/cm3(Predicted) |
| Storage conditions | Store at Room Tem. |
| Appearance | white solid |
| InChI | InChI=1S/C14H16BrF3/c15-9-10-6-7-12(11-4-2-1-3-5-11)13(8-10)14(16,17)18/h6-8,11H,1-5,9H2 |
| InChIKey | ZPIIIWNFODYJJO-UHFFFAOYSA-N |
| SMILES | C1(C2CCCCC2)=CC=C(CBr)C=C1C(F)(F)F |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H315-H318-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338+P310-P332+P313-P362-P403+P233-P405-P501 |
Safety & Regulations
| GHS classification | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P203, P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P272, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, 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 | Flam. Liq. 2 (100%)Skin Sens. 1A (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)Carc. 2 (100%)Aquatic Acute 1 (100%)Aquatic Chronic 1 (100%) |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| GHS hazard statements | H315-H318-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338+P310-P332+P313-P362-P403+P233-P405-P501 |