Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-클로로-3-니트로벤조트리플루오르화물
4-클로로-3-나이트로벤조트리플루오르화물 · 4-클로로-3-니트로벤조트리플루오르화물 · 1-CHLORO-2-NITRO-4-(TRIFLUOROMETHYL)BENZENE · 3-NITRO-4-CHLOROBENZOTRIFLUORIDE · CMNT · MNT-Cl · 4-chloro-1-trifluo · TIMTEC-BB SBB009923
식별자 및 물리적 특성
| CAS No. | 121-17-5 |
|---|---|
| 분자식 | C7H3ClF3NO2 |
| 평균 분자량 | 225.55 g/mol |
| 단동위원소 질량 | 224.98044068 g/mol |
| SMILES | O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cl |
| InChIKey | TZGFQIXRVUHDLE-UHFFFAOYSA-N |
| PubChem CID | 8462 |
| ChEMBL | CHEMBL1723690 |
| EC No. | 204-451-6 |
| DTXSID | DTXSID2024799 |
| 현지명 | 4-클로로-3-니트로벤조트리플루오르화물 |
화학 및 물리적 성질
| XLogP | 2.8 |
|---|---|
| 극성 표면적 | 45.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 228 |
| 물질 분류 | Nitrogen Compounds -> Nitros, Aromatic |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 밀도 | 1.542 at 59.9 °F (NTP, 1992) - Denser than waterwill sink1.511 g/mL at 25 °C(lit.) |
| 용해도 | Insoluble (NTP, 1992)에 용해됨클로로포름, 메탄올 (약간 용해됨) |
| 끓는 점 | 432.7 °F at 760 mmHg (NTP, 1992)222 °C(lit.) |
| 녹는점 | 27.5 °F (NTP, 1992)-2 °C |
| Physical Description | 3-nitro-4-chlorobenzotrifluoride appears as a colorless to dark-colored liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.Colorless to dark-colored liquid[CAMEO] Yellow liquid |
| 증기압 | 10Pa at 25℃ |
| 굴절률 | n20/D 1.489(lit.) |
| 인화점 | 215 °F |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 액체 |
| 색상 | 맑은 노란색 |
| 용해도 | 불용성 |
| BRN | 523986 |
| 헨리 상수 | 7.2×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | 1S/C7H3ClF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H |
| InChIKey | TZGFQIXRVUHDLE-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F |
| LogP(분배 계수) | 3.42 |
| NIST | Benzene, 1-chloro-2-nitro-4-(trifluoromethyl)-(121-17-5) |
| EPA | 4-Chloro-3-nitrobenzotrifluoride (121-17-5) |
화학적 성질
CLEAR YELLOW LIQUID
안전 및 규제
| GHS 분류 | WarningH302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 53 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 02-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/5781 |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:· Combustible material: may burn but does not ignite readily. |
| 건강 유해성 | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin. |
| 유해성 요약 | A mutagen and mild eye irritantCauses somnolence, tremor, and ataxia in lethal-dose feeding studies of rats[RTECS] A skin, eye, and mucous membrane irritantHighly toxic by inhalation, ingestion, and skin absorption[CAMEO] An irritant[MSDSonline] |
| 운송 번호 및 가이드(DOT) | 2307 152 |
| 반응성 그룹 | Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic |
| Reactivity Profile | Organonitrate compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups. |
| DOT Emergency Guidelines | /GUIDE 152: SUBSTANCES - TOXIC (COMBUSTIBLE)/ Health: Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. |
용도
일반 설명
4-Chloro-3-nitrobenzotrifluoride is a colorless to dark-colored liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.