Chloropentafluorobenzene
1-Chloro-2,3,4,5,6-pentafluorobenzene · Chloroperfluorobenzene · oropentafL · Chloropentafluoroben · Chlorpentafluorbenzol · pentaflurobenzoic acid · Pentafluorochlorobenzol · PENTAFLUOROCHLOROBENZENE
식별자 및 물리적 특성
| CAS No. | 344-07-0 |
|---|---|
| 분자식 | C6ClF5 |
| 평균 분자량 | 202.51 g/mol |
| 단동위원소 질량 | 201.9608685 g/mol |
| SMILES | Fc1c(F)c(F)c(Cl)c(F)c1F |
| InChIKey | KGCDGLXSBHJAHZ-UHFFFAOYSA-N |
| PubChem CID | 9579 |
| EC No. | 206-450-6 |
| DTXSID | DTXSID4059837 |
화학 및 물리적 성질
| XLogP | 3.1 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 150 |
| Kovats Retention Index | 748 |
| 녹는점 | -15.66°C |
| 끓는 점 | 122-123 °C/750 mmHg (lit.) |
| 밀도 | 1.568 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.424(lit.) |
| 인화점 | 116-118°C |
| 저장 조건 | Refrigerator |
| 물리적 상태 | 액체 |
| 색상 | 무색의 |
| 비중 | 1.651.568 |
| BRN | 1819389 |
| InChI | InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9 |
| InChIKey | KGCDGLXSBHJAHZ-UHFFFAOYSA-N |
| SMILES | C1(Cl)=C(F)C(F)=C(F)C(F)=C1F |
| EPA | Benzene, chloropentafluoro- (344-07-0) |
화학적 성질
CLEAR COLOURLESS LIQUID
안전 및 규제
| GHS 분류 | WarningH315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (95.2%)Eye Irrit. 2 (95.2%)STOT SE 3 (95.2%) |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | CZ1225500 |
| 독성 | dns-rat:lvr 10 mg/L NTIS** AD-A165-849 |
| 관세 코드 | 29039990 |
| 위험 문구(R) | 20-36/37/38 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 23-24/25-26 |
| 위험 참고 사항 | Irritant |
| 위험 등급 | Acute Tox. 3 Inhalation |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
용도
Chloropentafluorobenzene has been used in the preparation of:1,2-difluoro-1,2-bis-(pentafluorophenyl)dichlorane via fluorination with elemental fluorine at 128°C5-chloro-1-(difluorochloro)-2,3,4,5,6,6-hexafluoro-1,3-cyclohexadiene via reaction with chlorine trifluoride at 78°C
일반 설명
Reaction between chloropentafluorobenzene and strong N-bases in polar aprotic solvents and in the presence of water has been investigated. Chloropentafluorobenzene on reaction with ammonia yields 4-chloro-2,3,5,6-tetrafluoroaniline and 2-chloro-3,4,5,6-tetrafluoroaniline.