Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
브롬화알릴
아릴브로마이드 · 브로민화알릴 · 브롬화알릴 · 알릴브로마이드 · 아릴 브로마이드 · 3-브로모-1-프로펜 · 3-BROMOPROPENE · 3-BROMO-1-PROPENE
식별자 및 물리적 특성
| CAS No. | 106-95-6 |
|---|---|
| 분자식 | C3H5Br |
| 평균 분자량 | 120.98 g/mol |
| 단동위원소 질량 | 119.95746226 g/mol |
| SMILES | C=CCBr |
| InChIKey | BHELZAPQIKSEDF-UHFFFAOYSA-N |
| PubChem CID | 7841 |
| ChEMBL | CHEMBL1429506 |
| EC No. | 203-446-6 |
| DTXSID | DTXSID8024442 |
| 현지명 | 브롬화알릴 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 4 |
| 형식 전하 | 0 |
| 복잡도 | 17.2 |
| 물질 분류 | Other Classes -> Halogenated Aliphatics, UnsaturatedFlammable agents - 3rd degree |
| SpringerMaterials Properties | Schoenflies notation |
| LogP(분배 계수) | log Kow = 1.791.9 |
| 냄새 | Unpleasant, pungent불쾌한 냄새 |
| 밀도 | 1.4161 at 68 °F (USCG, 1999) - Denser than waterwill sink1.398 at 20 °C/4 °C1.3980 @ 20°C1.398 g/mL at 25 °C(lit.) |
| Color/Form | Colorless to light yellow liquid |
| 용해도 | Miscible with alcohol, chloroform, ether, carbon disulfide, carbon tetrachlorideIn water, 3,835 mg/L at 25 °CChloroform (Soluble) |
| 인화점 | 28 °F (USCG, 1999)-1 °C30 °F (-1 °C) |
| 끓는 점 | 158 °F at 760 mmHg (USCG, 1999)71.3 °C at 760 mm Hg71.3 °C @760 [mm Hg]70-71 °C(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen bromide/. |
| 녹는점 | -182 °F (USCG, 1999)-119 °C |
| 증기 밀도 | 4.17 (Air = 1)4.2 (vs air) |
| 증기압 | 18.66kPa at 25℃ |
| 굴절률 | n20/D 1.469(lit.) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 액체 |
| 색상 | 무색, 투명 또는 약간 착색됨 |
| 비중 | 1.398 |
| 폭발한계 | 4.3-7.3%(V) |
| 용해도 | 불용성 |
| Merck | 14,288 |
| BRN | 605308 |
| 헨리 상수 | 1.7×10-3 mol/(m3Pa) at 25℃, Yaws (2003) |
| 유전율 | 7.0 |
| 안정성 | 안정적인. 가연성. 강한 산화제와 호환되지 않습니다. |
| InChI | 1S/C3H5Br/c1-2-3-4/h2H,1,3H2 |
| InChIKey | BHELZAPQIKSEDF-UHFFFAOYSA-N |
| SMILES | BrCC=C |
| LogP(분배 계수) | 1.79 |
| NIST | 1-Propene, 3-bromo-(106-95-6) |
| EPA | 3-Bromopropene (106-95-6) |
화학적 성질
Allyl bromide is a flammable liquid with an intense, acrid, persistent smell. It is insoluble in water but in alcohol, aether, acetone, carbon tetrachloride, and chloroform. Allyl bromide is used to synthesize other allyl compounds, to synthesize dyestuff and spice, and as a curative in the medicine industry. Allyl bromide has a very high mobility in soil. It is also used as a soil fumigant and as a contact poison. Allyl bromide induces unscheduled DNA synthesis in HeLa cells.
안전 및 규제
| GHS 분류 | DangerH225 (92.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 68 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225: Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: 1-Propene, 3-bromo-1-Propene, 3-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propene, 3-bromo- 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: 18-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/103333-Bromo-1-propene: HSNO Approval: HSR004256 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 Poison |
| 화재 위험 | Special Hazards of Combustion Products: Toxic hydrogen bromide and bromine gases formed in fire.· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| 화재 가능성 | Dangerous fire and explosion hazard when exposed to heat or flame. |
| 건강 유해성 | Inhalation of vapor irritates mucous membranes and causes dizziness, headache, and lung irritation. Contact with liquid irritates eyes and skin. Ingestion causes irritation of mouth and stomach. (USCG, 1999)· TOXICmay be fatal if inhaled, ingested or absorbed through skin. |
| 유해성 요약 | A skin, eye, and respiratory tract irritantMay cause severe burns to skin and eyesMay be mutagenic |
용도
일반 설명
Allyl bromide appears as a clear colorless to light yellow liquid with an irritating unpleasant odor. Flash point 30 °F. Irritates eyes, skin, and respiratory system. Toxic by skin absorption. Denser than water and slightly soluble in water.