프탈로일 클로라이드
0-프탈산클로라이드 · 프탈로일클로라이드 · 프탈로일 클로라이드 · PHTHALOYL CHLORIDE · PHTHALYL CHLORIDE · Phthalic dichloride · benzene-1,2-dicarbonyl chloride · Phthalic chloride
식별자 및 물리적 특성
| CAS No. | 88-95-9 |
|---|---|
| 분자식 | C8H4Cl2O2 |
| 평균 분자량 | 203.02 g/mol |
| 단동위원소 질량 | 201.95883473 g/mol |
| SMILES | O=C(Cl)c1ccccc1C(=O)Cl |
| InChIKey | FYXKZNLBZKRYSS-UHFFFAOYSA-N |
| PubChem CID | 6955 |
| EC No. | 201-869-0 |
| DTXSID | DTXSID8038691 |
| 현지명 | 프탈로일 클로라이드 |
화학 및 물리적 성질
| XLogP | 2.7 |
|---|---|
| 극성 표면적 | 34.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 181 |
| 물질 분류 | Toxic Gases & Vapors -> Acid Halides |
| SpringerMaterials Properties | Boiling point |
| 밀도 | 1.409 @25 °C1.409 g/mL at 25 °C(lit.) |
| 끓는 점 | 281.1 °C @760 [mm Hg]269-271 °C(lit.) |
| 증기압 | 30 [mm Hg] @47 °C30 mm Hg ( 47 °C) |
| Physical Description | Colorless oily liquidmp = 15-16 deg C[Merck Index] Colorless or yellow liquidmp = 6-12 deg C[Alfa Aesar MSDS] |
| 녹는점 | 6-12 °C(lit.) |
| 굴절률 | n20/D 1.568(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | 에테르와 혼합 가능. |
| 물리적 상태 | 액체 |
| 색상 | 맑은 노란색 |
| 용해도 | 물에서 분해되다 |
| Merck | 14,7375 |
| BRN | 608200 |
| 안정성 | 수분에 민감한 |
| InChI | 1S/C8H4Cl2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H |
| InChIKey | FYXKZNLBZKRYSS-UHFFFAOYSA-N |
| SMILES | ClC(=O)c1ccccc1C(Cl)=O |
| NIST | 1,2-Benzenedicarbonyl dichloride(88-95-9) |
| EPA | 1,2-Benzenedicarbonyl dichloride (88-95-9) |
화학적 성질
colorless or clear yellow oily liquid. decompose with water and alcohol, soluble in ether, chloroform and benzene.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.4% (1 of 234) of reports.DangerH290 (44.9%): May be corrosive to metals [Warning Corrosive to Metals]P233, P234, P260, P261, P264, P264+P265, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P333+P317, P342+P316, P362+P364, P363, P390, P403, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 234 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 1,2-Benzenedicarbonyl dichlorideStatus: Active Update: 11-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/5306Phthaloyl dichloride: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Decomposed by water[Merck Index] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] See Benzoyl chloride. |
| Hazard Classes and Categories | Met. Corr. 1 (44.9%) |
| Protective Action Criteria (PAC) | 1.2 [mg/m3]13 [mg/m3]79 [mg/m3] |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3265 8/PG 2 |
| 관세 코드 | 29173980 |
| 위험 문구(R) | 34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | II |
| 위험 등급 | 8Skin Corr. 1B |
| 기존화학 물질 | 99-3-1219 |
| F 고인화성물질 | 21 |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
o-Phthaloyl Dichloride is used in the phthaloylation of hemicelluloses as an efficient way to improve their lipophilicity and hydrophilicity. Phthaloylation of hemicelluloses is also a key precursor to preparing polysaccharide derivatives.
일반 설명
equilibrium mixture (phthaloyl chloride ~80% and pseudochloride ~10%) both components show equal chemical behaviour
제조 및 합성 방법
제조 방법
Synthesis of phthaloyl dichloride: Mix 148g of phthalic anhydride with 220g of phosphorus pentachloride, heat, gradually increase the temperature to 250°C, escape the phosphorus oxychloride, distill the reaction product under reduced pressure, collect the 131-133°C (1.2-1.33kPa) fraction to obtain 187g of phthaloyl dichloride.