p-클로로벤조일 클로라이드
4-크로로안식향산클로라이드 · p-클로로안식향클로라이드산 · 4-클로로벤조일클로라이드 · P-글로로벤조일클로라이드 · p-클로로벤조일클로라이드 · P-CHLOROBENZOYL CHLORIDE · PCOC · SKL755
식별자 및 물리적 특성
| CAS No. | 122-01-0 |
|---|---|
| 분자식 | C7H4Cl2O |
| 평균 분자량 | 175.01 g/mol |
| 단동위원소 질량 | 173.9639201 g/mol |
| SMILES | O=C(Cl)c1ccc(Cl)cc1 |
| InChIKey | RKIDDEGICSMIJA-UHFFFAOYSA-N |
| PubChem CID | 8501 |
| ChEBI | CHEBI:60716 |
| EC No. | 204-515-3 |
| DTXSID | DTXSID4051619 |
| 현지명 | p-클로로벤조일 클로라이드 |
화학 및 물리적 성질
| XLogP | 3.6 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 128 |
| 증기압 | 0.05 [mmHg]5.8-73.9Pa at 20-50℃ |
| Physical Description | Clear colorless liquidmp = 12-14 deg C[Acros Organics MSDS] |
| 녹는점 | 11-14 °C (lit.) |
| 끓는 점 | 102-104 °C/11 mmHg (lit.) |
| 밀도 | 1.365 g/mL at 20 °C (lit.) |
| 굴절률 | n20/D 1.578(lit.) |
| 인화점 | 221 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | soluble in Chloroform, DMSO |
| 물리적 상태 | 액체 |
| 색상 | 무색투명~엷은색 |
| 폭발한계 | 1.5-15%(V) |
| 용해도 | 물과 반응합니다. 알코올과 반응합니다. |
| BRN | 471606 |
| 안정성 | 안정적인. 수분에 민감합니다. 강한 산화제와 호환되지 않습니다. |
| InChI | 1S/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H |
| InChIKey | RKIDDEGICSMIJA-UHFFFAOYSA-N |
| SMILES | ClC(=O)c1ccc(Cl)cc1 |
| LogP(분배 계수) | 2.52 at 25℃ |
| NIST | 4-Chlorobenzoic acid chloride(122-01-0) |
| EPA | Benzoyl chloride, 4-chloro- (122-01-0) |
화학적 성질
liquid
안전 및 규제
| GHS 분류 | DangerH314 (99.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (60.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (33.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 157 reports by companies from 13 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.Not Classified |
|---|---|
| 규제 정보 | Chemical: Benzoyl chloride, 4-chloro-Status: Active Update: 23-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/56014-Chlorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Causes irritant dermatitis and allergic anaphylaxis (multiple organ involvement) in 12-week intermittent intravenous studies of guinea pigs[RTECS] A skin and eye irritantMay cause skin sensitization[ECHA REACH Registrations] Hydrolyzed by water producing fumes and aqueous hydrogen chlorideCauses burns and lachrymationInhalation may cause corrosive injuries to respiratory tract[Acros Organics MSDS] |
| Hazard Classes and Categories | Skin Corr. 1B (99.4%)Eye Dam. 1 (60.5%)STOT SE 3 (33.8%) |
| 유해 작용 | Dermatotoxin - Skin burns.Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.Skin Sensitizer - An agent that can induce an allergic reaction in the skin.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DM6635510 |
| 운송 번호(UN) | UN 3265 8/PG 2 |
| 관세 코드 | 29163900 |
| 위험 문구(R) | 34-36/37 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45-28A |
| 포장분류 | II |
| 위험 등급 | 8Aquatic Chronic 3Eye Dam. 1Skin Corr. 1B |
| 기존화학 물질 | KE-05542 |
| F 고인화성물질 | 10-19-21 |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
4-Chlorobenzoyl chloride was used to synthesize 4-chlorobenzoyl CoA by reacting it with CoA in KHCO3 buffer. 4-Chlorobenzoyl chloride may be used in the following studies Acylation of benzene using different solid acid catalysts such as dodecatungstophosphoric acid (DTPA), DTPA/K-10 clay, K-10, Amberlite, Amberlyst-15, Indion-130, Filtrol-24 clay and sulfated zirconia, Preparation of 1-(4-chlorobenzoyl)-2, 7-dimethoxynaphthalene, Preparation of 4-chlorobenzoyl CoA, via reaction with CoA in KHCO3 buffer, Preparation of 1-aryloxyacetyl-4-(4-chlorobenzoyl)-semicarbazides.
일반 설명
4-Chlorobenzoyl chloride is an acyl chloride. It reacts with 2-amino-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinane to yield the respective N-acyl selenophosphoramides.