Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
나프타센
벤즈[베타]안트라센 · 나프타센 · TETRACENE · Tetracen · BENZ[B]ANTHRACENE · Rubene · Methacene · Chrysogen
식별자 및 물리적 특성
| CAS No. | 92-24-0 |
|---|---|
| 분자식 | C18H12 |
| 평균 분자량 | 228.3 g/mol |
| 단동위원소 질량 | 228.09390038 g/mol |
| SMILES | c1ccc2cc3cc4ccccc4cc3cc2c1 |
| InChIKey | IFLREYGFSNHWGE-UHFFFAOYSA-N |
| PubChem CID | 7080 |
| ChEMBL | CHEMBL1797272 |
| ChEBI | CHEBI:32600 |
| EC No. | 202-138-9 |
| DTXSID | DTXSID4059045 |
| 현지명 | 나프타센 |
화학 및 물리적 성질
| XLogP | 5.9 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 18 |
| 형식 전하 | 0 |
| 복잡도 | 236 |
| 녹는점 | 357 °C. [ChemIDplus]>300 °C(lit.) |
| Physical Description | "Orange leaflets from xylene"melting point = 341 degrees C[Merck Index] Has slight green fluorescence in daylight[Hawley] |
| Kovats Retention Index | 2395242524362386405.7403.92426403.5403.15402.86407.3401.28403.52403.51403.7403.89408.3 |
| 끓는 점 | 305.1°C (rough estimate) |
| 밀도 | 1.35 |
| 굴절률 | 1.5500 (estimate) |
| 물리적 상태 | 결정성 분말 |
| 색상 | 오렌지 레드 |
| 용해도 | 1.507ug/L(25℃) |
| Merck | 14,6369 |
| BRN | 1909299 |
| 헨리 상수 | 2.0×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. |
| InChI | InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H |
| InChIKey | IFLREYGFSNHWGE-UHFFFAOYSA-N |
| SMILES | C1=C2C(C=C3C(=C2)C=C2C(C=CC=C2)=C3)=CC=C1 |
| EPA | Naphthacene (92-24-0) |
화학적 성질
orange powder
안전 및 규제
| GHS 분류 | WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal]H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]H400 (80%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (80%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 3 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: Naphthacene |
| 유해성 요약 | An eye, skin, and respiratory tract irritantMay be harmful if swallowed, inhaled or absorbed through the skin[MSDSonline] May explode if shocked[Hawley] See POLYCYCLIC AROMATIC HYDROCARBONS. |
| Hazard Classes and Categories | Acute Tox. 4 (20%)Aquatic Acute 1 (80%)Aquatic Chronic 1 (80%) |
| Treatment | There is no know antidote for PAHs. Exposure is usually handled with symptomatic treatment. (L10) |
| 건강 영향 | PAHs are carcinogens and have been associated with the increased risk of skin, respiratory tract, bladder, stomach, and kidney cancers. They may also cause reproductive effects and depress the immune system. (L10) |
| 노출 경로 | Oral (L10)inhalation (L10) |
| 독성 요약 | The ability of PAH's to bind to blood proteins such as albumin allows them to be transported throughout the body. Many PAH's induce the expression of cytochrome P450 enzymes, especially CYP1A1, CYP1A2, and CYP1B1, by binding to the aryl hydrocarbon receptor or glycine N-methyltransferase protein. These enzymes metabolize PAH's into their toxic intermediates. The reactive metabolites of PAHs (epoxide intermediates, dihydrodiols, phenols, quinones, and their various combinations) covalently bind to DNA and other cellular macromolecules, initiating mutagenesis and carcinogenesis. (L10, L23, A27, A32) |
| Signs and Symptoms | Acute exposure to PAHs causes irritation and inflammation of the skin and lung tissue. (A10) |
| Carcinogen Classification | Not listed by IARC. IARC has evaluated related PAHs (L2154). |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | QI7605000 |
| 운송 번호(UN) | UN 3077 9/PG 3 |
| 관세 코드 | 29029090 |
| 위험 문구(R) | 40-50/53 |
| 위험 표시 | Xn,N |
| 안전 문구(S) | 45-36/37-61-60-24/25 |
| 저장 분류 | 11 - Combustible Solids |
용도
일반 설명
Benz[b]anthracene is an ethylnylated acene that is a conducting polymer, which can be used as a donor material. It has a high photoluminescence and quantum yield that makes it a promising candidate in the development of single crystal electronic material.