3-Chloro-5-(trifluoromethyl)pyridine
3-TRIFLUOROMETHYL-5-CHLOROPYRIDINE · 3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINE · Pyridine, 3-chloro-5-(trifluoroMethyl)- · 3-Chloro-5-(trifluoromethyl)pyridine97% · 3-Chloro-5-(trifluoromethyl)pyridine 97% · 3-Chloro-5-(trifluoromethyl)pyridine >3-Chloro-5-(trifluoromethyl)pyridine ISO 9001：2015 REACH
식별자 및 물리적 특성
| CAS No. | 85148-26-1 |
|---|---|
| 분자식 | C6H3ClF3N |
| 평균 분자량 | 181.54 g/mol |
| 단동위원소 질량 | 180.9906113 g/mol |
| SMILES | FC(F)(F)c1cncc(Cl)c1 |
| InChIKey | OMRCXTBFBBWTDL-UHFFFAOYSA-N |
| PubChem CID | 2736698 |
| EC No. | 678-782-3 |
| DTXSID | DTXSID30371538 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 12.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 136 |
| 녹는점 | 131.5 °C |
| 끓는 점 | 144°C |
| 밀도 | 1.416±0.06 g/cm3(Predicted) |
| 굴절률 | 1.4460 to 1.4500 |
| 인화점 | 54℃ |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 물리적 상태 | solid |
| pKa(산도 계수) | 0.52±0.20(Predicted) |
| InChI | InChI=1S/C6H3ClF3N/c7-5-1-4(2-11-3-5)6(8,9)10/h1-3H |
| InChIKey | OMRCXTBFBBWTDL-UHFFFAOYSA-N |
| SMILES | C1=NC=C(C(F)(F)F)C=C1Cl |
화학적 성질
light yellow crystalline
안전 및 규제
| GHS 분류 | DangerH301 (91.1%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (91.1%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.8%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 2811 6.1 / PGIII |
| 관세 코드 | 2933399990 |
| 위험 문구(R) | 20/21/22-36/37/38-25 |
| 위험 표시 | Xi,Xn,T |
| 안전 문구(S) | 26-36/37/39-36-45 |
| 포장분류 | III |
| 위험 등급 | 6.1Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
용도
3-Chloro-5-(trifluoromethyl)pyridine (3CTFP) is a pyridinium salt that is a byproduct of the production of chlorofluorocarbons. It is used to reduce the level of chlorine in water, and it can be used as a pesticide. 3CTFP is also an anion that can be reduced to form the chloride ion. 3CTFP reacts with nucleophiles such as ammonia or amines, which leads to nucleophilic substitution reactions. This reaction can be reversed by adding acid. The product from this reaction is ammonia gas.