Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-아미노디페닐
4-바이페닐아민 · 4-아미노디페닐 · 4-비페닐아민 · 4-아미노비페닐 · 비페닐-4-일아민 · 비페닐-4-일아민및그염류 · 제닐라민 · (1,1'-바이페닐)-4-아민
식별자 및 물리적 특성
| CAS No. | 92-67-1 |
|---|---|
| 분자식 | C12H11N |
| 평균 분자량 | 169.22 g/mol |
| 단동위원소 질량 | 169.08914935 g/mol |
| SMILES | Nc1ccc(-c2ccccc2)cc1 |
| InChIKey | DMVOXQPQNTYEKQ-UHFFFAOYSA-N |
| PubChem CID | 7102 |
| ChEMBL | CHEMBL44201 |
| ChEBI | CHEBI:1784 |
| EC No. | 202-177-1 |
| DTXSID | DTXSID5020071 |
| 현지명 | 4-아미노디페닐 |
화학 및 물리적 성질
| XLogP | 2.9 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 141 |
| 물질 분류 | Hazardous Air Pollutants (HAPs)Carcinogens |
| Polymers | Nitrogen Compounds -> Amines, Polyaromatic |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP(분배 계수) | log Kow = 2.86 at pH 7.52.9 |
| 냄새 | Floral odorCharacteristic odor |
| 밀도 | 1.16 at 68 °F (NTP, 1992) - Denser than waterwill sink1.16 at 68 °F (20 °C)1.2 g/cm³1.1154 (rough estimate) |
| Color/Form | Colorless crystalsLeaflets from alcohol or waterColorless to yellowish-brown crystals or light brown solid |
| 용해도 | less than 0.1 mg/mL at 66 °F (NTP, 1992)Slightly soluble in cold waterreadily soluble in hot waterSoluble in ethanol, ether, acetone, chloroformSoluble in dichloromethane, DMSO, methanolSoluble in lipidsSolubility in water, g/100ml at 25 °C: 0.2 (poor)디클로로메탄, DMSO 및 메탄올에 용해됨 |
| 인화점 | greater than 235 °F (NTP, 1992)Flash point > 235 °F113 °C (235 °F) - closed cup153 °C (closed cup)113 °C c.c.>235 °F>110°C |
| 끓는 점 | 576 °F at 760 mmHg (NTP, 1992)302 °C331 °C @760 [mm Hg]191 °C15 mm Hg(lit.) |
| Decomposition | Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx).When heated to composition it emits toxic fumes of /nitrogen oxides/. |
| 녹는점 | 127 °F (NTP, 1992)51.0 °C53.5 °C53 °C52-54 °C(lit.) |
| 증기압 | 6 x 10-5 mmHg at 20–30 °C (quoted, Mercer et al., 1990) |
| 굴절률 | 1.5785 (estimate) |
| 저장 조건 | -20°C Freezer |
| pKa(산도 계수) | 4.35(at 18℃) |
| 물리적 상태 | 가루 |
| 색상 | 갈색에서 진한 노란색까지 |
| 용해도 | 20~30°C에서 842mg/L(인용, Mercer et al., 1990) |
| Merck | 13,1235 |
| BRN | 386533 |
| 헨리 상수 | (x 1010 atmm3/mol): 3.89 at 25 °C (calculated, Mercer et al., 1990) |
| 안정성 | 안정적이지만 공기 중의 산소와 천천히 반응합니다. 타기 쉬운. 강한 산화제, 산, 산 무수물, 산 염화물과 호환되지 않습니다. |
| InChI | 1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2 |
| InChIKey | DMVOXQPQNTYEKQ-UHFFFAOYSA-N |
| SMILES | Nc1ccc(cc1)-c2ccccc2 |
| NIST | 4-Aminobiphenyl(92-67-1) |
| EPA | 4-Aminobiphenyl (92-67-1) |
안전 및 규제
| GHS 분류 | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 규제 정보 | Hazard Traits - CarcinogenicityNephrotoxicity and Other Toxicity to the Urinary SystemNeurotoxicityRestricted substance: 4-Aminobiphenyl xenylamineSubstance: Biphenyl-4-ylamine4-Aminodiphenyl: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.The 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) | Class 9 |
| 화재 위험 | This chemical is probably combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| 화재 가능성 | Slight to moderate when exposed to heat, flames, (sparks) or powerful oxidizers.This chemical is a combustible solid. |
| 건강 유해성 | Excerpt from NIOSH Pocket Guide for 4-Aminodiphenyl: |
| 유해성 요약 | Limited exposure to 4-aminobiphenyl occurs since it is no longer produced commercially. Acute (short- term) inhalation exposure to 4-aminobiphenyl produces headaches, lethargy, cyanosis, urinary burning, and hematuria (the presence of blood in urine) in humans. 4-Aminobiphenyl is a known human bladder carcinogen and animal studies have reported an increase in bladder and liver tumors from oral exposure. EPA has not classified 4-aminobiphenyl for potential carcinogenicityhowever, the International Agency for Research on Cancer (IARC) has classified 4-aminobiphenyl as a Group 1 carcinogen, the agent is carcinogenic to humans.A potential occupational carcinogen that can cause hemorrhagic cystitis and methemoglobinemia[CAMEO] An eye irritant[ICSC] Bladder cancer--regulated as a carcinogen by OSHAsee Carcinogens in 29 CFR 1910.1003 |
용도
개요
4-Aminobiphenyl is an aromatic amine (arylamine) that exists at room temperature as a colorless crystalline solid with a floral odor. It is slightly soluble in cold water, but readily soluble in hot water. It is soluble in ethanol, ether, acetone, chloroform, and lipids. It oxidizes in air and emits toxic fumes when heated to decomposition (Akron 2009).
용도
In the United States, 4-aminobiphenyl now is used only in laboratory research. It formerly was used commercially as a rubber antioxidant, as a dye intermediate, and in the detection of sulfates (HSDB 2009).
일반 설명
Colorless to yellowish-brown crystals or light brown solid.