Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
클로로헥산
1-클로로헥세인 · 클로로헥산 · 1-클로로헥산 · 1-Chlorhexan · N-HEXYL CHLORIDE · HEXYL CHLORIDE · orohexane · Hexylchlorid
식별자 및 물리적 특성
| CAS No. | 25495-90-3 |
|---|---|
| 분자식 | C6H13Cl |
| 평균 분자량 | 120.62 g/mol |
| 단동위원소 질량 | 120.0705781 g/mol |
| SMILES | CCCCCCCl |
| InChIKey | MLRVZFYXUZQSRU-UHFFFAOYSA-N |
| PubChem CID | 10992 |
| ChEMBL | CHEMBL156095 |
| EC No. | 208-859-5 |
| DTXSID | DTXSID1060265 |
| 현지명 | 클로로헥산 |
화학 및 물리적 성질
| XLogP | 3.6 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 27.4 |
| 물질 분류 | Other Classes -> Halogenated Aliphatics, SaturatedFlammable agents - 3rd degree |
| SpringerMaterials Properties | Boiling point |
| 인화점 | 95 °F (NFPA, 2010)80 °F |
| 증기압 | 9.37 [mmHg]53 hPa (55 °C) |
| Physical Description | Mobil, clear liquid.Mobile liquid[Merck Index] |
| 녹는점 | -94 °C (lit.) |
| 끓는 점 | 133-134 °C (lit.) |
| 밀도 | 0.879 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.419(lit.) |
| 저장 조건 | Store below +30°C. |
| 용해도 | 물: 불용성(lit.) |
| 물리적 상태 | 액체 |
| 색상 | 맑은 노란색 |
| 폭발한계 | 1.0-9.6%(V) |
| 용해도 | water: insoluble(lit.) |
| Merck | 14,2144 |
| BRN | 1731289 |
| 헨리 상수 | 3.1×10-4 mol/(m3Pa) at 25℃, Li et al. (1993) |
| 유전율 | 5.8200000000000003 |
| 안정성 | 안정적인. 가연성. 강한 산화제, 강한 염기와 호환되지 않습니다. |
| InChI | 1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3 |
| InChIKey | MLRVZFYXUZQSRU-UHFFFAOYSA-N |
| SMILES | CCCCCCCl |
| LogP(분배 계수) | 3.54 at 25℃ |
| NIST | Hexane, 1-chloro-(544-10-5) |
| EPA | 1-Chlorohexane (544-10-5) |
화학적 성질
colourless liquid
안전 및 규제
| GHS 분류 | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 181 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Hexane, 1-chloro-Status: Active Update: 23-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/116611-Chlorohexane: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 운송 라벨(DOT) | Combustible Liquid |
| 화재 위험 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 건강 유해성 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 유해성 요약 | An irritant[Alfa Aesar MSDS] See 1,6-Dichlorohexane and n-Butyl chloride. |
| 반응성 그룹 | Halogenated Organic Compounds |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | Halogenated aliphatic compounds, such as 1-CHLOROHEXANE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. |
| DOT Hazard Classification | 1-ChlorohexaneMarine pollutantnormal-Hexyl chloride |
| Air and Water Reactions | Highly flammable. Vapors may form explosive mixtures with air. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Flammable agents - 3rd degree |
| 소화 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 응급 처치 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 비화재 누출 대응 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 1993 3/PG 3 |
| 독성 | LD50 orally in Rabbit: 7000 mg/kg |
| 관세 코드 | 29031980 |
| 위험 문구(R) | 10-37-20/21-50/53 |
| 위험 표시 | Xi,N |
| 안전 문구(S) | 23-24/25-16-61-60 |
| 포장분류 | III |
| 위험 등급 | 3Flam. Liq. 3 |
| 자연 발화 온도 | 225 °C |
| 저장 분류 | 3 - Flammable liquids |
용도
일반 설명
Mobil, clear liquid.