Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
P-니트로소디페닐아민
P-니트로소디페닐아민 · 4-니트로소디페닐아민 · TKB · naugardtkb · NCI-C02244 · Naugard tkb · 4-Niinylamine · 4-Nitrosophenylamine
식별자 및 물리적 특성
| CAS No. | 156-10-5 |
|---|---|
| 분자식 | C12H10N2O |
| 평균 분자량 | 198.22 g/mol |
| 단동위원소 질량 | 198.07931294 g/mol |
| SMILES | O=Nc1ccc(Nc2ccccc2)cc1 |
| InChIKey | OIJHFHYPXWSVPF-UHFFFAOYSA-N |
| PubChem CID | 9074 |
| ChEMBL | CHEMBL1600998 |
| ChEBI | CHEBI:82509 |
| EC No. | 205-848-7 |
| DTXSID | DTXSID1021031 |
| 현지명 | P-니트로소디페닐아민 |
화학 및 물리적 성질
| XLogP | 2.5 |
|---|---|
| 극성 표면적 | 41.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 194 |
| 물질 분류 | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| Color/Form | GREEN PLATES WITH BLUISH LUSTER (FROM BENZENE) OR STEEL-BLUE PRISMS OR PLATES (FROM ETHER + WATER)YELLOW LIQUID PLATESGreenish crystals |
| 용해도 | less than 0.1 mg/mL at 70.7 °F (NTP, 1992)SLIGHTLY SOL IN WATER OR PETROLEUM ETHERFREELY SOL IN ALCOHOL, ETHER, CHLOROFORM, BENZENE클로로포름(약간 용해됨, 가열, 초음파 처리), DMSO(약간 용해됨, 초음파 처리) |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Decomposition | WHEN HEATED TO DECOMPOSITION, IT EMITS TOXIC FUMES OF NITROGEN OXIDES. |
| 녹는점 | 291 °F (Decomposes) (NTP, 1992)144-145 °C144 °C (dec.)(lit.) |
| 증기압 | 0.000185 [mmHg] |
| Physical Description | P-nitrosodiphenylamine appears as green plates with bluish luster or a black powder. (NTP, 1992)Green solid with bluish luster or steel-blue solid[Merck Index] |
| Stability/Shelf Life | AN UNUSUALLY STABLE NITROSO COMPOUND |
| Collision Cross Section | 144.2 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID1021031] |
| Other Experimental Properties | UNDERGOES REDUCTION, ALKYLATION AND NITROSATIONFORMS SALTS WITH STRONG ACIDS AND BASESTHE BASIC SALTS REARRANGE TO A QUINOID STRUCTURE. |
| 끓는 점 | 335.53°C (rough estimate) |
| 밀도 | 1.1447 (rough estimate) |
| 굴절률 | 1.6330 (estimate) |
| 저장 조건 | -20°C Freezer, Under inert atmosphere |
| pKa(산도 계수) | -3.56±0.20(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 푸르스름한 광택이 있는 녹색 플레이트(벤젠) 또는 강철 청색 프리즘 또는 플레이트(에테르 + H2O) |
| Merck | 14,6639 |
| EPA | p-Nitrosodiphenylamine (156-10-5) |
화학적 성질
dark blue to black powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 3.7% (3 of 80) of reports.WarningH302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 80 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Hazard Traits - Carcinogenicity |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: Symptoms of exposure to this compound include skin and eye irritation. |
| 유해성 요약 | A skin and eye irritantHighly toxic by inhalation, ingestion, and skin absorption[CAMEO] Causes liver cancer in high-dose feeding studies of experimental animals[HSDB] A skin and eye irritantMay cause liver and kidney damage[MSDSonline] |
| 반응성 그룹 | Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic |
| Special Reports | DHEW/NCIBioassay of p-Nitrosodiphenylamine for Possible Carcinogenicity (1979) Technical Rpt Series No. 190 DHEW Pub No. (NIH) 79-1746National Toxicology Program. Eleventh Report on Carcinogens (2005). The Report on Carcinogens is an informational scientific and public health document that identifies and discusses substances (including agents, mixtures, or exposure circumstances) that may pose a carcinogenic hazard to human health. 4-Nitrosodiphenylamine (156-10-5) is delisted as reasonably anticipated to be a human carcinogen.[Available from, as of July 31, 2009: http://ntp.niehs.nih.gov/ntp/roc/eleventh/append/appb.pdf] |
| Reactivity Profile | P-NITROSODIPHENYLAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides. May react with strong oxidizing agents (NTP, 1992). |
용도
용도
Has been used as retardant in vulcanizing rubber.
일반 설명
Green plates with bluish luster or a black powder.