염화 n-부틸
N-뷰틸염화물 · 염화n-부틸 · 염화부틸 · N-뷰틸 클로라이드 · 1-클로로부테인 · n-클로로뷰테인 · n-프로필카비닐 염화물 · n-프로필카비닐 클로라이드
식별자 및 물리적 특성
| CAS No. | 109-69-3 |
|---|---|
| 분자식 | C4H9Cl |
| 평균 분자량 | 92.57 g/mol |
| 단동위원소 질량 | 92.03927797 g/mol |
| SMILES | CCCCCl |
| InChIKey | VFWCMGCRMGJXDK-UHFFFAOYSA-N |
| PubChem CID | 8005 |
| ChEMBL | CHEMBL47259 |
| EC No. | 203-696-6 |
| DTXSID | DTXSID8020206 |
| 현지명 | 염화 n-부틸 |
화학 및 물리적 성질
| XLogP | 2.6 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 5 |
| 형식 전하 | 0 |
| 복잡도 | 13.1 |
| 물질 분류 | Flammable agents - 3rd degree |
| Solvents | Solvents -> Chlorinated Aliphatics |
| SpringerMaterials Properties | Schoenflies notation |
| 농약 | Pesticide -> EPA IRIS |
| LogP(분배 계수) | log Kow= 2.392.82 |
| 냄새 | Unpleasant불쾌한 냄새 |
| 밀도 | 0.8862 at 68 °F (USCG, 1999) - Less dense than waterwill float0.88098 @ 25 °C/4 °C0.89197 @ 15 °C/4 °C0.88648 @ 20 °C/4 °CRelative density (water = 1): 0.89 (20 °C)0.892 @ 15°C0.886 g/mL at 25 °C (lit.) |
| Viscosity | 0.0045 POISE @ 20 °C0.45 mPa*s at 20 °C |
| Color/Form | COLORLESS LIQ |
| 용해도 | less than 1 mg/mL at 59 °F (NTP, 1992)PRACTICALLY INSOL IN WATER (0.066% @ 12 °C)MISCIBLE WITH ALC, ETHERSolubility in water, g/l at 25 °C: 0.87 (practically insoluble)물: 20°C에서 용해성0.11g/L |
| 인화점 | 20 °F (NTP, 1992)15 °F (-9 °C) (Closed Cup)-12 °C-12 °F |
| Animal Drugs | Active Ingredients (N-butyl Chloride) -> FDA Greenbook |
| 녹는점 | -123 °C (lit.) |
| 끓는 점 | 77-78 °C (lit.) |
| 증기 밀도 | 3.2 (vs air) |
| 증기압 | 80.1 mm Hg ( 78.4 °C) |
| 굴절률 | n20/D 1.402(lit.) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 점성 액체 |
| 색상 | 흰색에서 분홍색, 연한 갈색까지 |
| 폭발한계 | 1.8-10.1%(V) |
| 용해도 | 0.5g/L(20℃) |
| Merck | 14,1560 |
| BRN | 1730909 |
| 헨리 상수 | 5.6×10-4 mol/(m3Pa) at 25℃, Brockbank (2013) |
| 유전율 | 9.6(20℃) |
| 안정성 | 안정적인. 가연성이 높습니다. 인화점이 낮고 폭발 한계 범위가 넓습니다. 강한 산화제, 강한 염기와 호환되지 않습니다. |
| InChI | 1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3 |
| InChIKey | VFWCMGCRMGJXDK-UHFFFAOYSA-N |
| SMILES | CCCCCl |
| LogP(분배 계수) | 2.66 at 20℃ |
| 표면장력 | 23.74mN/m at 293.15K |
| NIST | Butane, 1-chloro-(109-69-3) |
| EPA | 1-Chlorobutane (109-69-3) |
화학적 성질
1-Chlorobutane is a highly flammable, clear, colorless liquid at standard temperature and pressure. The density is 0.886 g/cm3, which is lower than that of water. It does not react with water, is classified as highly flammable, but it is neither an oxidizer nor an explosive. However, vapors can form explosive mixtures with air. The substance self-ignites at 245℃.
안전 및 규제
| GHS 분류 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)H225 (100%): Highly Flammable liquid and vapor [Danger 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) |
|---|---|
| 규제 정보 | Chemical: Butane, 1-chloro-Butane, 1-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 1-chloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 16-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13696Butane, 1-chloro-: HSNO Approval: HSR001101 Approved with controlsThe 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) | Flammable Liquid |
| 화재 위험 | Special Hazards of Combustion Products: May produce phosgene gas in fire (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive. |
| 화재 가능성 | FLAMMABLE, DANGEROUS FIRE RISK. |
| 건강 유해성 | Mildly irritating to the skin and eyes, liquid may cause rash due to removal of skin oils. Ingestion or skin absorbtion may cause intestinal upset, cramping, and central nervous system depression. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
| 유해성 요약 | Dangerous fire risk[Hawley] Reacts slowly with water evolving hydrochloric acidA skin, eye, and respiratory tract irritantThe substance may cause effects on the nervous system. [ICSC] A skin and eye irritant[HSDB] A mild skin and eye irritant based on animal studies |
용도
용도
1-Chlorobutane is used as an intermediate for the production of other chemicals in the chemical industry. 1-chlorobutane is a common extraction solvent in the forensic toxicology arena. A benefit of 1-chlorobutane is that it is less dense than water and therefore settles above the aqueous layer. As butylating agent in organic synthesis, e.g., in the manufacture of butyl cellulose. 1-chlorobutane will be halogenated to produce dichlorobutane using sulfuryl chloride via a free-radical chain reaction mechanism.
일반 설명
A water white liquid with a sharp odor. Flash point 20°F. Boiling point 77-78°C (173°F). Density 7.5 lb / gal. Slightly soluble in water. Vapors are heavier than air. Used in the manufacture of a variety of organic chemicals.
제조 및 합성 방법
제조 방법
1-Chlorobutane is obtained by esterification of n-butanol with hydrogen chloride or hydrochloric acid at 100℃ either without a catalyst or utilizing the accelerating effect of zinc chloride, tripentylamine hydrochloride, or phosphorus pentachloride. n-Butyl chloride is also obtained, along with 2-chlorobutane, by the chlorination of butane over aluminum oxide at 200℃.