Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
이소아밀브로마이드
1-브로모-3-메틸뷰테인 · 이소아밀브로마이드 · ISOAMYL BROMIDE · 3-METHYLBUTYL BROMIDE · 3-Bromo-2-methylbutane · 1soamyl Bromide · iso-Bromopentane · BrCH2CH2CH(CH3)2
식별자 및 물리적 특성
| CAS No. | 107-82-4 |
|---|---|
| 분자식 | C5H11Br |
| 평균 분자량 | 151.04 g/mol |
| 단동위원소 질량 | 150.00441 g/mol |
| SMILES | CC(C)CCBr |
| InChIKey | YXZFFTJAHVMMLF-UHFFFAOYSA-N |
| PubChem CID | 7891 |
| ChEMBL | CHEMBL158800 |
| EC No. | 203-522-9 |
| DTXSID | DTXSID7059353 |
| 현지명 | 이소아밀브로마이드 |
화학 및 물리적 성질
| XLogP | 2.7 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 25 |
| 밀도 | 1.210 g/cu cm at 15 °C1.207 @25 °C1.261 g/mL at 25 °C(lit.) |
| Color/Form | Colorless liquid |
| 용해도 | Miscible with alcohol and etherIn water, 196 mg/L at 16.5 °CH2O: 16.5°C에서 난용성(0.02g/100ml) |
| 인화점 | -6 °C90 °F |
| 끓는 점 | 120-121 °C120-121 °C(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen bromide/. |
| 녹는점 | -112 °C |
| 증기압 | 34.6 [mmHg]34.6 mm Hg at 25 °C |
| 굴절률 | Index of refractive = 1.4433 at 15 °Cn20/D 1.4409(lit.) |
| 헨리 상수 | Henry's Law constant = 3.46X10-2 atm-cu m/mol at 25 °C4.9×10-4 mol/(m3Pa) at 25℃, Mackay et al. (1993) |
| Physical Description | 1-bromo-3-methylbutane appears as a colorless liquid. Slightly soluble in water and denser than water. Vapors are heavier than air.[Merck Index] |
| Kovats Retention Index | 83779685385686779410021009991 |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 액체 |
| 색상 | 무색의 |
| 용해도 | 0.2g/L(16℃) |
| Merck | 14,5114 |
| BRN | 773652 |
| 유전율 | 6.1(24℃) |
| InChI | 1S/C5H11Br/c1-5(2)3-4-6/h5H,3-4H2,1-2H3 |
| InChIKey | YXZFFTJAHVMMLF-UHFFFAOYSA-N |
| SMILES | CC(C)CCBr |
| NIST | Butane, 1-bromo-3-methyl-(107-82-4) |
| EPA | Butane, 1-bromo-3-methyl- (107-82-4) |
화학적 성질
clear colourless liquid
안전 및 규제
| GHS 분류 | DangerH225 (84.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]H226 (17.3%): Flammable liquid and vapor [Warning Flammable liquids]H302 (78.8%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (94.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (17.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (90.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (19.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 10 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. |
|---|---|
| 규제 정보 | Chemical: Butane, 1-bromo-3-methyl-Status: Active Update: 13-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/239401-Bromo-3-methylbutane: 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) | Flammable Liquid |
| 화재 위험 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. (ERG, 2024) |
용도
용도
1-Bromo-3-methylbutane was used in the synthesis of 1-(3-methylbutyl)pyrrole and in the production of pentyl peroxy radical by direct photolysis production method. It was also used as extraction solvent for determination of polycyclic aromatic hydrocarbons in water samples using liquid-liquid microextraction combined with gas chromatography-mass spectrometry. It is also used as an alkyl halide and organic synthesis reagent.
일반 설명
A colorless liquid. Flash point 21°F. Slightly soluble in water and denser than water. Vapors are heavier than air.