P-클로로니트로벤젠
1-클로로-4-나이트로벤젠 · P-니트로클로로벤젠 · 1-클로로42-니트로벤젠 · p-나이트로클로로벤젠 · P-클로로니트로벤젠 · 1-클로로-4-니트로벤젠 · 1-CHLORO-4-NITROBENZENE · PNCB
식별자 및 물리적 특성
| CAS No. | 100-00-5 |
|---|---|
| 분자식 | C6H4ClNO2 |
| 평균 분자량 | 157.55 g/mol |
| 단동위원소 질량 | 156.99305605 g/mol |
| SMILES | O=[N+]([O-])c1ccc(Cl)cc1 |
| InChIKey | CZGCEKJOLUNIFY-UHFFFAOYSA-N |
| PubChem CID | 7474 |
| ChEMBL | CHEMBL56970 |
| ChEBI | CHEBI:34399 |
| EC No. | 202-809-6 |
| DTXSID | DTXSID5020281 |
| 현지명 | P-클로로니트로벤젠 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 45.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 126 |
| 물질 분류 | Nitrogen Compounds -> Nitros, AromaticReactive agents - 3rd degree |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| 농약 | InsecticidesActive substance -> EU Pesticides database: Not approved |
| LogP(분배 계수) | log Kow = 2.392.45 |
| 냄새 | Sweet odor |
| 밀도 | 1.52 at 64 °F (NTP, 1992) - Denser than waterwill sink1.520Relative density (water = 1): 1.31.2979 @ 90°C1.298 g/mL at 25 °C(lit.) |
| Viscosity | 1.07X10-3 Pa-s at 356.65 deg K |
| Color/Form | Monoclinic prismsYellow crystalsYellow, crystalline solid |
| 용해도 | less than 0.1 mg/mL at 75 °F (NTP, 1992)Sparingly sol in cold alc and freely in boiling alcohol, ether, carbon disulfide.Soluble in organic solventsIn water, 225 mg/L at 20 °CSolubility in water: noneSlight아세톤과 알코올에 용해됨(Weast, 1986) |
| 인화점 | 230 °F (NTP, 1992)127 °C261 °F (closed cup)261 °F (127 °C) (closed cup)127 °C c.c.>230 °F |
| 끓는 점 | 468 °F at 760 mmHg (NTP, 1992)242 °C at 760 mm Hg242 °C @760 [mm Hg]242 °C(lit.) |
| Decomposition | ...WHEN HEATED TO DECOMPOSITION IT EMITS VERYY TOXIC FUMES OF /NITROGEN OXIDES AND HYDROGEN CHLORIDE./ |
| 녹는점 | 80-83 °C(lit.) |
| 증기 밀도 | 5.4 (vs air) |
| 증기압 | 0.09 mm Hg ( 25 °C) |
| 굴절률 | 1.5376 (estimate) |
| 물리적 상태 | 결정 또는 플레이크 |
| 색상 | 노란색 |
| 용해도 | 불용성 |
| 비열 | Cp(crystal): 1.59 J/(g·K), at 25℃ |
| Merck | 14,2151 |
| BRN | 508691 |
| 헨리 상수 | 4.90 x 10-6 atmm3/mol at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999) |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제, 수산화물과 호환되지 않습니다. 메탄올의 나트륨메톡사이드와 격렬하게 반응함. |
| InChI | 1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H |
| InChIKey | CZGCEKJOLUNIFY-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc(Cl)cc1 |
| NIST | Benzene, 1-chloro-4-nitro-(100-00-5) |
| EPA | p-Chloronitrobenzene (100-00-5) |
화학적 성질
4-Chloronitrobenzene is a light yellow monoclinic prisms crystallizes, which are insoluble in water and very soluble in toluene, ether, acetone, or hot ethanol. It is incompatible with strong oxidizers and alkalis. It is extensively used in different industries as an intermediate in the manufacture of dyes, rubber, and agricultural chemicals.
안전 및 규제
| GHS 분류 | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| 규제 정보 | Chemical: Benzene, 1-chloro-4-nitro-Hazard Traits - Carcinogenicity2002/2076Status: Cease Manufacture Update: 16-07-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/19271-Chloro-4-nitrobenzene: HSNO Approval: HSR003035 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 기타 안전 정보 | IMAP assessments - Benzene, 1-chloro-4-nitro-: Human health tier II assessment |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | This compound is combustible. (NTP, 1992)Combustible. Many reactions may cause fire or explosion. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air. |
| 화재 가능성 | FIRE HAZARD SLIGHT WHEN EXPOSED TO HEAT OR FLAME. |
| 건강 유해성 | Excerpt from NIOSH Pocket Guide for p-Nitrochlorobenzene: |
| 유해성 요약 | Listed in a table of Industrial Chemicals for Which Methemoglobin Formation is the Principal Cause of Toxicityliver injury seen in subchronic animal studies[ACGIH] Can induce methemoglobinemiaMay cause skin sensitization[ICSC] |
| 운송 번호 및 가이드(DOT) | 1578 152 |
| 반응성 그룹 | Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic |
| UN 분류 | UN Hazard Class: 6.1UN Pack Group: II |
| Special Reports |
용도
용도
4-Nitrochlorobenzene is an important intermediate in the manufacture of azo dyes and sulfide dyes, the drugs finasteride and paracetamol, the pesticide herbicide, etc. It is also the raw material of rubber antioxidant 4010.
일반 설명
Light yellow crystalline solid. Density 1.520 g / cm3. Melting point 83°C. Sweet odor. Very toxic by inhalation, ingestion, and skin absorption. p-Chloronitrobenzene is extensively used in different industries as an intermediate in the manufacture of dyes, rubber, and agricultural chemicals. It is incompatible with strong oxidisers and alkalis.