Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,4-Dimethoxyaniline
AKOS BBS-00003627 · 4-AMINORESORCINOL · 4-DiMethoxyaniline · 2,4-DIMETHOXYANILINE · 2,4-dimethoxy-anilin · 2,4-Dimethoxyaniline C · 2,4-DIMETHOXY BENZAMINE · Aniline, 2,4-dimethoxy-
식별자 및 물리적 특성
| CAS No. | 2735-04-8 |
|---|---|
| 분자식 | C8H11NO2 |
| 평균 분자량 | 153.18 g/mol |
| 단동위원소 질량 | 153.07897859 g/mol |
| SMILES | COc1ccc(N)c(OC)c1 |
| InChIKey | GEQNZVKIDIPGCO-UHFFFAOYSA-N |
| PubChem CID | 17652 |
| ChEMBL | CHEMBL1622132 |
| EC No. | 220-355-7 |
| DTXSID | DTXSID7043829 |
화학 및 물리적 성질
| XLogP | 1.2 |
|---|---|
| 극성 표면적 | 44.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 119 |
| 물질 분류 | Nitrogen Compounds -> Amines, Aromatic |
| Color/Form | PLATES FROM PETROLEUM ETHER |
| 용해도 | less than 1 mg/mL at 63 °F (NTP, 1992)SLIGHTLY SOL IN WATERSOL IN ETHER, ALC, BENZENE, HOT PETROLEUM ETHER |
| 녹는점 | 92.3 °F (NTP, 1992)33.5 °C33-36 °C (lit.) |
| Physical Description | 2,4-dimethoxyaniline is a black crystalline solid. (NTP, 1992)Black solid[CAMEO] Black solidmp = 34-37 deg C[MSDSonline] |
| Other Experimental Properties | UV: 6158 (Sadtler Research Laboratories Spectral Collection) /3,4-Dimethoxyaniline/ |
| 끓는 점 | 75-80 C |
| 밀도 | 1.075 g/mL at 25 °C (lit.) |
| 굴절률 | 1.4640 (estimate) |
| 인화점 | >230 °F |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| pKa(산도 계수) | 5.14±0.10(Predicted) |
| 물리적 상태 | 결정질 고체 |
| 색상 | 어두운 갈색 |
| 용해도 | 7g/L(20℃) |
| BRN | 638704 |
| 헨리 상수 | 1.6×101 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| 안정성 | 안정성 안정적이지만 빛에 장기간 노출되면 민감합니다. 산과 호환되지 않습니다. |
| InChI | 1S/C8H11NO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,9H2,1-2H3 |
| InChIKey | GEQNZVKIDIPGCO-UHFFFAOYSA-N |
| SMILES | COc1ccc(N)c(OC)c1 |
| NIST | Benzenamine, 2,4-dimethoxy-(2735-04-8) |
| EPA | 2,4-Dimethoxyaniline (2735-04-8) |
화학적 성질
black crystals
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzenamine, 2,4-dimethoxy-2,4-Dimethoxyaniline: Does not have an individual approval but may be used under an appropriate group standard |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| 건강 유해성 | ACUTE/CHRONIC HAZARDS: This compound is a local irritant. (NTP, 1992) |
| 유해성 요약 | Emergency treatment: MethemoglobinemiaNo evidence of carcinogenicity in rats or mice[HSDB] A local irritant[CAMEO] An irritantMay induce methemoglobinemia[MSDSonline] |
| 반응성 그룹 | Amines, Aromatic |
| Special Reports | DHEW/NCIBioassay of 2,4-Dimethoxyaniline hydrochloride for Possible Carcinogenicity (1979) Technical Rpt Series No. 171 DHEW Pub No. (NIH) 79-1727 |
| Reactivity Profile | 2,4-DIMETHOXYANILINE 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. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 소화 | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| 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. |
| Isolation and Evacuation | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| 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) |
| 유해 작용 | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Ongoing Test Status | The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. /2,4-Dimethoxyaniline hydrochloride/ [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=54150-69-5] |
| Non-Human Toxicity Excerpts | ... Under the conditions of this bioassay there was no convincing evidence for the carcinogenicity of 2,4-dimethoxyaniline HCl in Fischer 344 rats or B6C3F1 mice. Levels of Evidence of Carcinogenicity: Male Rats: NegativeFemale Rats: NegativeMale Mice: NegativeFemale Mice: Negative. |
| National Toxicology Program Studies | A bioassay for the possible carcinogenicity of 2,4-dimethoxyaniline HCl was conducted using Fischer 344 rats and B6C3F1 mice. 2,4-Dimethoxyaniline HCl was admin in the feed, at either of two concn, to groups of 50 male and 50 female animals of each species. Twenty animals of each sex and species were placed on test as controls. The high and low dietary concn of 2,4-dimethoxyaniline HCl were, respectively, 3,000 and 1,500 ppm for rats and 5,000 and 2,500 ppm for mice. The cmpd was admin in the diet for 104 wk to rats and 103 wk to mice, followed by a l wk observation period for both species. ... Adequate numbers of animals in all groups survived sufficiently long to be at risk from late-developing tumors. ... Under the conditions of this bioassay there was no convincing evidence for the carcinogenicity of 2,4-dimethoxyaniline HCl in Fischer 344 rats or B6C3F1 mice. Levels of Evidence of Carcinogenicity: Male Rats: NegativeFemale Rats: NegativeMale Mice: NegativeFemale Mice: Negative. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | BX4200000 |
| 운송 번호(UN) | 2811 |
| 독성 | mouse,LD50,oral,1gm/kg (1000mg/kg),Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. Vol. NCI-E-C-72-3252, Pg. 1973, |
| 관세 코드 | 29214200 |
| 위험 문구(R) | 22-36/37/38-20/21/22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-36-36/37/39-22 |
| 포장분류 | III |
| 위험 등급 | 6.1(b)Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 기존화학 물질 | KE-11028 |
| F 고인화성물질 | 8-10-23 |
| 저장 분류 | 11 - Combustible Solids |
| 유해 물질 데이터 | 2735-04-8(Hazardous Substances Data) |
용도
용도
Various 2,4-dimethoxyphenylsemicarbazones were synthesized starting from 2,4-dimethoxyaniline via a phenylcarbamate intermediate. The hydrochloride of 2,4-dimethoxyaniline was prepared by intro- ducing hydrogen chloride gas into an etheral solution and washing the precipitate with absolute diethyl ether.
일반 설명
Black crystalline solid.