Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,4-디클로로부탄
1,4-다이클로로뷰테인 · 1,4-다이클로로부탄 · 1,4-디클로로부탄 · 부탄,1,4-디클로로-테트라메틸렌디염화물 · DICHLOROBUTANE · 1,4-Dichlorobu · 1,4-Dichlorbutan · 1,4-DICHLOROBUTANE
식별자 및 물리적 특성
| CAS No. | 110-56-5 |
|---|---|
| 분자식 | C4H8Cl2 |
| 평균 분자량 | 127.01 g/mol |
| 단동위원소 질량 | 126.00030562 g/mol |
| SMILES | ClCCCCCl |
| InChIKey | KJDRSWPQXHESDQ-UHFFFAOYSA-N |
| PubChem CID | 8059 |
| EC No. | 203-778-1 |
| DTXSID | DTXSID5021918 |
| 현지명 | 1,4-디클로로부탄 |
화학 및 물리적 성질
| XLogP | 2.1 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 17.5 |
| 물질 분류 | Other Classes -> Halogenated Aliphatics, Saturated |
| SpringerMaterials Properties | Schoenflies notation |
| LogP(분배 계수) | 2.24 |
| 밀도 | 1.1408 (NTP, 1992) - Denser than waterwill sink1.16 g/mL at 25 °C (lit.) |
| 인화점 | 104 °F (NTP, 1992) |
| 끓는 점 | 309 °F at 760 mmHg (NTP, 1992)161-163 °C (lit.) |
| 녹는점 | -35.1 °F (NTP, 1992)-38 °C (lit.) |
| 증기 밀도 | 4.4 (NTP, 1992) - Heavier than airwill sink (Relative to Air) |
| 증기압 | 4 mmHg at 68 °F (NTP, 1992)4.13 [mmHg]5 hPa (20 °C) |
| Physical Description | 1,4-dichlorobutane is a colorless mobile liquid with a mild pleasant odor. (NTP, 1992)Colorless liquid with a mild pleasant odor[CAMEO] |
| 굴절률 | n20/D 1.454(lit.) |
| 저장 조건 | Store below +30°C. |
| 용해도 | 2.4g/L |
| 물리적 상태 | 액체 |
| 색상 | 투명한 |
| pH | 7.3 (H2O, 20℃) |
| 폭발한계 | 1.8-8.9%(V) |
| 용해도 | 0.24g/100mL(20℃) |
| BRN | 635673 |
| 헨리 상수 | 2.0×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) |
| 유전율 | 9.6500000000000004 |
| 안정성 | 안정적인. 가연성. 강염기, 강산화제와 호환되지 않습니다. |
| InChI | 1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2 |
| InChIKey | KJDRSWPQXHESDQ-UHFFFAOYSA-N |
| SMILES | ClCCCCCl |
| LogP(분배 계수) | 2.81 |
| NIST | 1,4-Dichlorobutane(110-56-5) |
| EPA | 1,4-Dichlorobutane (110-56-5) |
화학적 성질
colourless liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.4% (1 of 224) of reports.WarningH226 (99.6%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 224 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Butane, 1,4-dichloro-Status: Active Update: 20-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/199141,4-Dichlorobutane: Does not have an individual approval but may be used under an appropriate group standard |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 건강 유해성 | ACUTE/CHRONIC HAZARDS: Irritant. (NTP, 1992) |
| 유해성 요약 | An irritant[NTP] May cause eye irritation[Alfa Aesar MSDS] See 1,2-Dichlorobutane and 1,3-Dichloropropane. |
| 반응성 그룹 | Halogenated Organic Compounds |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | Halogenated aliphatic compounds, such as 1,4-DICHLOROBUTANE, 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. This compound can react vigorously with oxidizing materials. (NTP, 1992) |
| Air and Water Reactions | Highly flammable. Insoluble in water. |
| Hazard Classes and Categories | Flam. Liq. 3 (99.6%) |
| 소화 | A fire in your laboratory involving this chemical should be extinguished with a dry chemical, carbon dioxide or halon extinguisher. (NTP, 1992) |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 비화재 누출 대응 | SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Isolation and Evacuation | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. |
| 유해 작용 | Neurotoxin - Acute solvent syndrome |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 1993 3/PG 3 |
| 독성 | LD50 orally in Rabbit: 3420 mg/kg |
| 관세 코드 | 29031980 |
| 위험 문구(R) | 10-36/37/38-39/23/24/25-23/24/25-11 |
| 위험 표시 | Xi,T,F |
| 안전 문구(S) | 26-36-45-36/37-16-7 |
| 포장분류 | III |
| 위험 등급 | 3Aquatic Chronic 3Flam. Liq. 3 |
| 기존화학 물질 | KE-10098 |
| 자연 발화 온도 | 220 °C |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
Used in organic synthesis including adiponitrile. It is also used as an active pharmaceutical intermediate. 1,4-dichlorobutane (1,4-DCB) can be used as an organic solvent (O) for ion-transfer voltammetry at water (W) interface.
일반 설명
Colorless mobile liquid with a mild pleasant odor.