Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Carbanilide
Diphenylurea · N,N-DIPHENYLUREA · CARBANILIDE · 1,3-DIPHENYLUREA · N,N'-Diphenylurea · Centralite · PROXIMPHAM · Zeonet U
식별자 및 물리적 특성
| CAS No. | 102-07-8 |
|---|---|
| 분자식 | C13H12N2O |
| 평균 분자량 | 212.25 g/mol |
| 단동위원소 질량 | 212.094963 g/mol |
| SMILES | O=C(Nc1ccccc1)Nc1ccccc1 |
| InChIKey | GWEHVDNNLFDJLR-UHFFFAOYSA-N |
| PubChem CID | 7595 |
| ChEMBL | CHEMBL354676 |
| ChEBI | CHEBI:41320 |
| EC No. | 203-003-7 |
| DTXSID | DTXSID2025183 |
화학 및 물리적 성질
| XLogP | 3 |
|---|---|
| 극성 표면적 | 41.1 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 196 |
| 물질 분류 | Nitrogen Compounds -> Urea CompoundsIndustrial compound |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Boiling point |
| LogP(분배 계수) | 3.00 |
| 밀도 | 1.239 (NTP, 1992) - Denser than waterwill sink1,239 g/cm3 |
| Color/Form | RHOMBIC BIPYRAMIDAL PRISMS FROM ALCOHOLORTHORHOMBIC PRISMS FROM ALCOHOLCOLORLESS PRISMS |
| 용해도 | less than 0.1 mg/mL at 64 °F (NTP, 1992)SPARINGLY SOL IN WATER (0.15 G/L)SAPRINGLY SOL IN ALCOHOL, ACETONE, CHLOROFORMMODERATELY SOL IN PYRIDINE (69.0 G/L).SOL IN ACETIC ACID, ETHERINSOL IN BENZENE0.15 mg/mL피리딘: 용해성50mg/mL, 투명하거나 매우 약간 흐릿함, 무색 내지 희미한 노란색 |
| 끓는 점 | 504 °F at 760 mmHg (Decomposes) (NTP, 1992)260 °C (DECOMPOSE)262 °C(lit.) |
| 녹는점 | 460 °F (NTP, 1992)238 °C239 - 240 °C239-241 °C(lit.) |
| Physical Description | 1,3-diphenylurea is an off-white powder. (NTP, 1992)Large CrystalsColorless solid[HSDB] Off-white powder[Alfa Aesar MSDS] |
| Other Experimental Properties | SUBLIMES IN CURRENT OF HYDROGEN AT 220 °CUV: 5-361 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Urea, 1,1-diphenyl/ |
| 증기압 | 0-0Pa at 20-25℃ |
| 굴절률 | 1.6920 (estimate) |
| 인화점 | 260°C |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 결정성 분말 |
| pKa(산도 계수) | 14.15±0.70(Predicted) |
| 색상 | 하얀색 |
| 용해도 | 150.3mg/L(온도 미공개) |
| Merck | 14,1785 |
| BRN | 782650 |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. |
| InChI | 1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16) |
| InChIKey | GWEHVDNNLFDJLR-UHFFFAOYSA-N |
| SMILES | O=C(Nc1ccccc1)Nc2ccccc2 |
| LogP(분배 계수) | 2.97 |
| NIST | Urea, N,N'-diphenyl-(102-07-8) |
| EPA | Carbanilide (102-07-8) |
화학적 성질
1,3-Diphenylurea is supplied as a solid. A stock solution may be made by dissolving the 1,3-diphenylureain, the solvent of choice, which should be purged with an inert gas. 1,3-Diphenylurea is soluble in organic solvents such as DMSO and dimethyl formamide. The solubility of 1,3-diphenylurea in these solvents is approximately 30 mg/ml.1,3-Diphenylurea is sparingly soluble in aqueous buffers. For maximum solubility in aqueous buffers1,3-diphenylurea should first be dissolved in DMSO and then diluted with the aqueous buffer of choice.1,3-Diphenylurea has a solubility of approximately 50 ug/ml in a 1:20 solution of DMSO: PBS (pH 7.2) using this method.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.WarningH302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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. |
|---|---|
| 규제 정보 | Urea, N,N'-diphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Urea, N,N'-diphenyl- 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: 26-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20899Urea, N,N'-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| 화재 위험 | Flash point data for this chemical are not available, but it is probably combustible. (NTP, 1992) |
| 건강 유해성 | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992) |
| 유해성 요약 | No evidence of mutagenicity[HSDB] May cause irritation[Alfa Aesar MSDS] |
| 반응성 그룹 | Amides and Imides |
| Reactivity Profile | 1,3-DIPHENYLUREA is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx). |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (80%) |
| 소화 | Fires involving this compound 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: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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. |
| 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) |
| Non-Human Toxicity Excerpts | INCR IN FREQUENCY OF REVERSION FROM STREPTOMYCIN DEPENDENCE TO INDEPENDENCE IN STRAIN SD-4-73 OF ESCHERICHIA COLI WAS UTILIZED TO MEASURE MUTAGENICITY OF CHEMICALS. CARBANILIDE WAS NONMUTAGENIC. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | FD9800000 |
| 독성 | mouse,LD50,intraperitoneal,200mg/kg (200mg/kg),National Technical Information Service. Vol. AD277-689, |
| 관세 코드 | 29242100 |
| 안전 문구(S) | 22-24/25 |
| 저장 분류 | 11 - Combustible Solids |
| 유해 물질 데이터 | 102-07-8(Hazardous Substances Data) |
용도
일반 설명
1,3-Diphenylurea is a cytokinin compound present in fruit and vegetables.
제조 및 합성 방법
생산 방법
N,N'-Diphenylurea, carbanilide, can be produced in high yields by heating 2 mol of aniline with 1 mol of urea in glacial acetic acid.