6-Chloro-2-picoline
6-CHLORO-ALPHA-PICOLINE · C234 · 6-CH · 6-Chloropicoline · 2-CHLORO-6-PICOLINE · 6-CHLORO-2-PICOLINE · 2-Chloro-6-Pilcoline · 2-Picoline, 6-chloro-
식별자 및 물리적 특성
| CAS No. | 18368-63-3 |
|---|---|
| 분자식 | C6H6ClN |
| 평균 분자량 | 127.57 g/mol |
| 단동위원소 질량 | 127.0188769 g/mol |
| SMILES | Cc1cccc(Cl)n1 |
| InChIKey | GXZDYRYYNXYPMQ-UHFFFAOYSA-N |
| PubChem CID | 87601 |
| EC No. | 242-241-6 |
| DTXSID | DTXSID0022272 |
화학 및 물리적 성질
| XLogP | 2.2 |
|---|---|
| 극성 표면적 | 12.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 74 |
| 끓는 점 | 64-68 °C10 mm Hg(lit.) |
| 밀도 | 1.167 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.527(lit.) |
| 인화점 | 165 °F |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| pKa(산도 계수) | 1.10±0.10(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 무색투명~연황색 |
| 비중 | 1.167 |
| BRN | 107187 |
| InChI | InChI=1S/C6H6ClN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3 |
| InChIKey | GXZDYRYYNXYPMQ-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC(C)=CC=C1 |
| NIST | 2-Cl-6-(CH3)-pyridine(18368-63-3) |
| EPA | Pyridine, 2-chloro-6-methyl- (18368-63-3) |
화학적 성질
Light yellow liquid
안전 및 규제
| GHS 분류 | WarningH302 (14.9%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (14.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (14.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 47 reports by companies from 7 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. 4 (14.9%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.9%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN2810 |
| 관세 코드 | 29333990 |
| 위험 문구(R) | 36/37/38-20/21/22 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 26-36-36/37/39 |
| 포장분류 | III |
| 위험 등급 | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 10 - Combustible liquids |
용도
개요
2-Chloro-6-methylpyridine (2C6MP) is a strong inhibitor of methane monooxygenase, a key enzyme in the aerobic oxidation of methane (CH4). It belongs to the pesticide nitropyridine group of compounds. Studies have shown that 2C6MP has the least effect on CH4 oxidation at concentrations of 0.1 mM and 1 mM, but at a concentration of 10 mM, 2C6MP inhibits CH4 oxidation for >20 months. Low concentrations of 2C6MP did not inhibit Methylophilaceae, while high concentrations of 2C6MP inhibited Methylophilaceae by only 7.8 ± 1.1%[1].
용도
2-Chloro-6-methylpyridine has been used for experimental FTIR and FT-Raman spectroscopic analyses, as well as for conformational studies.