Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
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]

식별자 및 물리적 특성
| CAS No. | 800381-60-6 |
|---|---|
| 분자식 | C14H16BrF3 |
| 평균 분자량 | 321.18 g/mol |
| 단동위원소 질량 | 320.03875 g/mol |
| SMILES | FC(F)(F)c1cc(CBr)ccc1C1CCCCC1 |
| InChIKey | ZPIIIWNFODYJJO-UHFFFAOYSA-N |
| PubChem CID | 22057749 |
| EC No. | 849-160-0 |
화학 및 물리적 성질
| XLogP | 5.9 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 18 |
| 형식 전하 | 0 |
| 복잡도 | 258 |
| 끓는 점 | 322.9±37.0 °C(Predicted) |
| 밀도 | 1.374±0.06 g/cm3(Predicted) |
| 저장 조건 | Store at Room Tem. |
| 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 |
안전 및 규제
| GHS 분류 | 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%) |
| 신호 어 | Danger |
| 유해·위험 문구 | 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315 |