Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-브로모바이페닐
4-브로모바이페닐 · 4-브로모비페닐 · 92-66-0 · 4-bromo-1,1'-biphenyl · P-BROMOBIPHENYL · pbb 3 · 4-BROMODIPHENYL · The broMine biphenyl
식별자 및 물리적 특성
| CAS No. | 92-66-0 |
|---|---|
| 분자식 | C12H9Br |
| 평균 분자량 | 233.1 g/mol |
| 단동위원소 질량 | 231.98876239 g/mol |
| SMILES | Brc1ccc(-c2ccccc2)cc1 |
| InChIKey | PKJBWOWQJHHAHG-UHFFFAOYSA-N |
| PubChem CID | 7101 |
| ChEMBL | CHEMBL1399688 |
| EC No. | 202-176-6 |
| DTXSID | DTXSID4024640 |
| 현지명 | 4-브로모바이페닐 |
화학 및 물리적 성질
| XLogP | 4.7 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 141 |
| Polymers | Other Classes -> Halogenated Polyaromatics |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 밀도 | 0.9327 (NTP, 1992) - Less dense than waterwill float |
| 용해도 | Insoluble (NTP, 1992)디옥산: 가용성 1g/10mL, 투명, 무색에서 매우 희미한 노란색 |
| 인화점 | 290 °F (NTP, 1992)143 °C |
| 끓는 점 | 590 °F at 760 mmHg (NTP, 1992)310 °C(lit.) |
| 녹는점 | 196.2 °F (NTP, 1992)82-86 °C(lit.) |
| Physical Description | 4-bromobiphenyl appears as colorless crystals. Insoluble in water. (NTP, 1992)Colorless solid[CAMEO] White crystalline solid[Sigma-Aldrich MSDS] |
| Collision Cross Section | 136.7 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs] |
| 굴절률 | 1.6565 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 플레이크 크리스탈 |
| 색상 | 거의 흰색에서 약간 노란색 |
| 용해도 | 불용성 |
| BRN | 1907453 |
| 헨리 상수 | 6.0×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| 안정성 | 안정적인. 산화제와 호환되지 않습니다. |
| InChI | 1S/C12H9Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H |
| InChIKey | PKJBWOWQJHHAHG-UHFFFAOYSA-N |
| SMILES | Brc1ccc(cc1)-c2ccccc2 |
| NIST | 1,1'-Biphenyl, 4-bromo-(92-66-0) |
| EPA | 4-Bromobiphenyl (92-66-0) |
화학적 성질
White powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 4% (2 of 50) of reports.DangerH302 (92%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Regulation (EC) No 178/2002 (amended)S - indicates a substance that is identified in a final Significant New Use Rule.Status: Active Update: 25-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32327Restricted substance: 4-bromobiphenyl |
| 운송 라벨(DOT) | Class 9 |
| 화재 위험 | This chemical is combustible. (NTP, 1992) |
| 건강 유해성 | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| 유해성 요약 | An irritant that may cause serious eye injuryHarmful by ingestion[Sigma-Aldrich MSDS] See Polybrominated biphenyls. |
| 반응성 그룹 | Aryl Halides |
| Reactivity Profile | 4-BROMOBIPHENYL may be sensitive to light. This compound can react with oxidizing materials. (NTP, 1992) |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (92%) |
| 소화 | Fires involving this material should be controlled using 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: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a 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 171 [Substances (Low to Moderate Hazard)]: |
| Minimum Risk Level | Acute Oral: 0.01 mg/kg/day (L134) |
| 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. (NTP, 1992) |
| Treatment | EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration. |
| 건강 영향 | PBB exposure may cause weight loss, skin disorders (such as acne), nervous and immune systems effects, and effects on the liver, kidneys, and thyroid gland. (L628) |
| 노출 경로 | Oral (L628)inhalation (L628)dermal (L628) |
| 독성 요약 | The exact mechanism of toxicty of PBBs varies depending on the specific congener. The predominant interaction is believed to involve the aryl hydrocarbon receptor (AhR). PBBs bind to and activate the AhR, which in turn initiates the transcriptional upregulation of a number of genes, affecting biochemical and endocrine pathways, cell cycle regulation, morphogenesis, oxidative stress response, and various other processes. This results in the numerous toxic responses characteristic of PBBs. Some of the known induced genes include the cytochrome P-450-dependent monooxygenases CYP1A1 and CYP1A2. (L628) |
| Signs and Symptoms | Symptoms of PBB exposure may include nausea, abdominal pain, loss of appetite, joint pain, fatigue, and weakness. (L629) |
| Carcinogen Classification | 2A, probably carcinogenic to humans. (L135) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DV1750100 |
| 운송 번호(UN) | UN 3152 9/PG 2 |
| 관세 코드 | 29036990 |
| 위험 문구(R) | 36/37/38-50/53-41-37/38-22 |
| 위험 표시 | Xi,N,Xn |
| 안전 문구(S) | 22-24/25-37/39-26-61-60-39 |
| 포장분류 | Ⅲ |
| 위험 등급 | IRRITANTAcute Tox. 4 OralAquatic Acute 1Eye Dam. 1Skin Irrit. 2STOT SE 3 |
| 기존화학 물질 | KE-03626 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
4-Bromobiphenyl is used as halogenated hydrocarbon and Intermediates of Liquid Crystals. It is also used in used in the synthesis of 4-biphenylthiolate.
일반 설명
Colorless crystals. Insoluble in water.