식별자 및 물리적 특성
| CAS No. | 39191-07-6 |
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| 분자식 | C8H10ClN |
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| 평균 분자량 | 155.62 g/mol |
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| 단동위원소 질량 | 155.050177 g/mol |
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| SMILES | CNCc1cccc(Cl)c1 |
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| InChIKey | ZPNLAQVYPIAHTO-UHFFFAOYSA-N |
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| PubChem CID | 122721 |
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| ChEMBL | CHEMBL1178161 |
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| EC No. | 254-343-8 |
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| DTXSID | DTXSID4068163 |
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화학 및 물리적 성질
| XLogP | 2.2 |
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| 극성 표면적 | 12 |
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| 수소 결합 공여자 수 | 1 |
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| 수소 결합 수용자 수 | 1 |
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| 회전 가능 결합 수 | 2 |
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| 무거운 원자 수 | 10 |
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| 형식 전하 | 0 |
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| 복잡도 | 95 |
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| 끓는 점 | 97 °C/0.6 mmHg (lit.) |
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| 밀도 | 1.072 g/mL at 25 °C (lit.) |
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| 굴절률 | n20/D 1.5395(lit.) |
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| 인화점 | 115 °F |
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| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
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| pKa(산도 계수) | 9.34±0.10(Predicted) |
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| InChI | 1S/C8H10ClN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3 |
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| InChIKey | ZPNLAQVYPIAHTO-UHFFFAOYSA-N |
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| SMILES | CNCc1cccc(Cl)c1 |
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| NIST | N-methyl-m-chlorobenzylamine(39191-07-6) |
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| EPA | Benzenemethanamine, 3-chloro-N-methyl- (39191-07-6) |
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안전 및 규제
| GHS 분류 | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 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. |
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| Hazard Classes and Categories | Flam. Liq. 3 (100%)Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Dam. 1 (100%) |
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| 수질 위해 등급(WGK) | 2 |
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| TSCA 등재 상태 | TSCA listed |
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| 운송 번호(UN) | UN 1993 3/PG 1 |
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| 관세 코드 | 29214990 |
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| 위험 문구(R) | 10-22-38-41 |
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| 위험 표시 | Xn |
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| 안전 문구(S) | 16-26-36/37/39 |
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| 포장분류 | Ⅲ |
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| 위험 등급 | 3Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Irrit. 2 |
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| 저장 분류 | 3 - Flammable liquids |
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