Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,4-디플루오로아닐린
2,4-디플루오로아닐린 · 2,4-다이플루오로아닐린 · Difluoroaniline · 4-Difluoroaniline · 2,4-difluoro-anilin · Aniline, 2,4-difluoro- · 2,4-DIFLUOROPHENYLAMINE · AKOS 91127
식별자 및 물리적 특성
| CAS No. | 367-25-9 |
|---|---|
| 분자식 | C6H5F2N |
| 평균 분자량 | 129.11 g/mol |
| 단동위원소 질량 | 129.0390056 g/mol |
| SMILES | Nc1ccc(F)cc1F |
| InChIKey | CEPCPXLLFXPZGW-UHFFFAOYSA-N |
| PubChem CID | 9709 |
| ChEMBL | CHEMBL1423658 |
| EC No. | 206-687-5 |
| DTXSID | DTXSID6025064 |
| 현지명 | 2,4-디플루오로아닐린 |
화학 및 물리적 성질
| XLogP | 1.5 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 97.1 |
| 밀도 | 1.268 (NTP, 1992) - Denser than waterwill sink1.268 g/mL at 25 °C (lit.) |
| 용해도 | 10 to 50 mg/mL at 68.9 °F (NTP, 1992)어렵거나 섞일 수 없음 |
| 인화점 | 145 °F (NTP, 1992) |
| 끓는 점 | 338 °F at 753 mmHg (NTP, 1992)170 °C/753 mmHg (lit.) |
| 녹는점 | 18.5 °F (NTP, 1992)-7.5 °C (lit.) |
| Physical Description | 2,4-difluoroaniline is a dark reddish-purple liquid. (NTP, 1992) |
| 굴절률 | n20/D 1.506(lit.) |
| 저장 조건 | Keep in dark place,Inert atmosphere,2-8°C |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 3.26±0.10(Predicted) |
| 비중 | 1.284 (20/4℃) |
| 색상 | 클리어 브라운 |
| 용해도 | 20.55&C에서 1-5g/100mL |
| Merck | 14,3147 |
| BRN | 2802556 |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제, 산, 산 염화물, 산 무수물과 호환되지 않습니다. |
| InChI | 1S/C6H5F2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2 |
| InChIKey | CEPCPXLLFXPZGW-UHFFFAOYSA-N |
| SMILES | Nc1ccc(F)cc1F |
| LogP(분배 계수) | 1.7 at 25℃ and pH5-9 |
| NIST | 2,4-Difluoroaniline(367-25-9) |
| EPA | 2,4-Difluoroaniline (367-25-9) |
화학적 성질
dark red liquid
안전 및 규제
| GHS 분류 | DangerH302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 157 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzenamine, 2,4-difluoro-Status: Active Update: 19-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24338Benzenamine, 2,4-difluoro-: Does not have an individual approval but may be used under an appropriate group standard |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | This compound is combustible. (NTP, 1992) |
| 건강 유해성 | ACUTE/CHRONIC HAZARDS: This compound may be irritating to tissues. (NTP, 1992) |
| 반응성 그룹 | Aryl Halides |
| Reactivity Profile | Anilines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | This chemical may be sensitive to prolonged exposure to air. (NTP, 1992). Water soluble. |
| Hazard Classes and Categories | Acute Tox. 4 (99.4%) |
| 소화 | Fires involving this compound can be controlled with 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 you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated 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 153 [Substances - Toxic and/or Corrosive (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) |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | BX3680000 |
| 운송 번호(UN) | UN 2941 6.1/PG 3 |
| 관세 코드 | 29214210 |
| 위험 문구(R) | 20/21/22-36/37/38 |
| 위험 표시 | Xn,T,Xi |
| 안전 문구(S) | 28-36/37/39-26-36 |
| 포장분류 | III |
| 위험 등급 | 6.1Acute Tox. 3 DermalAcute Tox. 4 Oral |
| F 고인화성물질 | 8-9-23 |
| 위험 참고 사항 | Toxic |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
용도
2,4-Difluoroaniline is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.
일반 설명
Dark reddish-purple liquid.