1-브로모-3-클로로프로페인
1-브로모-3-클로로프로판 · 1-브로모-3-클로로프로페인 · 1-클로로-3-브로모프로페인 · 3-브로모-1-클로로프로페인 · 3-브로모프로필 염화물 · 3-브로모프로필 클로라이드 · 3-클로로프로필 브로마이드 · 3-클로로프로필 브롬화물
식별자 및 물리적 특성
| CAS No. | 109-70-6 |
|---|---|
| 분자식 | C3H6BrCl |
| 평균 분자량 | 157.44 g/mol |
| 단동위원소 질량 | 155.93413997 g/mol |
| SMILES | ClCCCBr |
| InChIKey | MFESCIUQSIBMSM-UHFFFAOYSA-N |
| PubChem CID | 8006 |
| ChEMBL | CHEMBL156560 |
| ChEBI | CHEBI:189106 |
| EC No. | 203-697-1 |
| DTXSID | DTXSID1051565 |
| 현지명 | 1-브로모-3-클로로프로페인 |
화학 및 물리적 성질
| XLogP | 1.9 |
|---|---|
| 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 | 16.4 |
| 물질 분류 | Other Classes -> Halogenated Aliphatics, Saturated |
| SpringerMaterials Properties | Schoenflies notation |
| LogP(분배 계수) | Log P = 2.18 |
| 밀도 | 1.5969 @ 20 °C/4 °CRelative density (water = 1): 1.61.592 g/mL at 25 °C (lit.) |
| Color/Form | COLORLESS LIQUID |
| 용해도 | Very sol in alc, ether, chloroformSOL IN METHANOLSoluble in oxygenated and chlorinated solvents.In water = 2240 mg/l at 25 °C.Solubility in water, g/100ml at 25 °C: 0.2242.24g/l 불용성 |
| 인화점 | 57 °C81 °C |
| 끓는 점 | 143.3 °C @ 760 MM HG144-145 °C (lit.) |
| 녹는점 | -58.90 °C-58.9 °C-59 °C |
| 증기 밀도 | Relative vapor density (air = 1): 5.4 |
| 증기압 | 6.38 [mmHg]Vapor pressure, kPa at 25 °C: 0.857.5 hPa (20 °C) |
| 굴절률 | INDEX OF REFRACTION: 1.4864 @ 20 °C/Dn20/D 1.486(lit.) |
| 저장 조건 | room temp |
| 물리적 상태 | 액체 |
| 색상 | 투명한 액체 |
| 폭발한계 | 3.2-8.6%(V) |
| 용해도 | 불용성 |
| BRN | 605278 |
| 헨리 상수 | 3.9×10-2 mol/(m3Pa) at 25℃, HSDB (2015) |
| 안정성 | 휘발성 물질 |
| InChI | 1S/C3H6BrCl/c4-2-1-3-5/h1-3H2 |
| InChIKey | MFESCIUQSIBMSM-UHFFFAOYSA-N |
| SMILES | ClCCCBr |
| NIST | Propane, 1-bromo-3-chloro-(109-70-6) |
| EPA | Propane, 1-bromo-3-chloro- (109-70-6) |
화학적 성질
It is a clear and colorless liquid that is soluble in ethanol, ether, and chloroform but insoluble in water.
안전 및 규제
| GHS 분류 | DangerH226 (28.6%): Flammable liquid and vapor [Warning Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P318, P319, P321, P330, 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 189 reports by companies from 26 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H226: Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: Propane, 1-bromo-3-chloro-Hazard Traits - CarcinogenicityPropane, 1-bromo-3-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propane, 1-bromo-3-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: 12-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/246611-Bromo-3-chloropropane: 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.) |
| 기타 안전 정보 | Evaluation - 1-bromo-3-chloropropane and 1,3-dibromopropane |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Excerpt from ERG Guide 159 [Substances (Irritating)]:· Some of these materials may burn, but none ignite readily.Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 57 °C explosive vapour/air mixtures may be formed. |
| 건강 유해성 | Excerpt from ERG Guide 159 [Substances (Irritating)]:· Inhalation of vapors or dust is extremely irritating. |
| 유해성 요약 | May cause CNS effects and liver injury[ICSC] No significant adverse gross or histopathological changes observed with regard to body weight, kidneys, or male reproductive organs in two week feeding study with rats |
용도
개요
1-Bromo-3-chloropropane is a halogenated alkane compound containing one bromine atom and one chlorine atom in its structure. Due to the high electronegativity of halogens, the molecule of 1-Bromo-3-chloropropane is highly electrophilic and is easily attacked by electrophilic reagents such as nucleophilic reagents, Lewis acid, etc., which undergoes nucleophilic substitution reactions. The compound is relatively stable at room temperature, but is susceptible to elimination reactions at high temperatures or in the presence of strong acids or bases. In addition, prolonged exposure to air should be avoided because 1-Bromo-3-chloropropane molecules contain halogen atoms that are susceptible to reaction by oxygen and moisture in the air to produce products such as alcohols and aldehydes.
용도
1-Bromo-3-chloropropane is used in the preparation active pharmaceutical ingredient intermediate such as gemfibrozil and reproterol. It is also involved in the preparation of cardiovascular diseases and analgesic drugs materials. It is utilized as a phase separation reagent for the isolation of ribonucleic acid (RNA) in high quality. It is considered as a replacement of chloroform in nucleic acid separations.
일반 설명
1-bromo-3-chloropropane appears as a colorless liquid. Insoluble in water and denser than water. May be toxic by inhalation, ingestion or skin absorption. Used to make pharmaceuticals and other chemicals.
제조 및 합성 방법
제조 방법
The most common method for producing 1-Bromo-3-chloropropane is through the free-radical addition of anhydrous hydrogen bromide to allyl chloride. Alternatively, it can be prepared by reacting ethylene with methylene chlorobromide.