9-플루오레닐메틸 클로로폼산
9-플루오레닐메틸클로로폼산 · 9-플루오레닐메틸 클로로폼산 · FMOC-CL · FoMc-Cl · (9H-fluoren-9-yl)Methyl carbonochloridate · FMOC-C · fmoc-ci · 9-FLUORENYLMETHOXYCARBONYL CHLORIDE
식별자 및 물리적 특성
| CAS No. | 28920-43-6 |
|---|---|
| 분자식 | C15H11ClO2 |
| 평균 분자량 | 258.7 g/mol |
| 단동위원소 질량 | 258.04475727 g/mol |
| SMILES | O=C(Cl)OCC1c2ccccc2-c2ccccc21 |
| InChIKey | IRXSLJNXXZKURP-UHFFFAOYSA-N |
| PubChem CID | 34367 |
| EC No. | 249-313-6 |
| DTXSID | DTXSID10183116 |
| 현지명 | 9-플루오레닐메틸 클로로폼산 |
화학 및 물리적 성질
| XLogP | 4.3 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 18 |
| 형식 전하 | 0 |
| 복잡도 | 296 |
| 녹는점 | 62-64 °C(lit.) |
| 끓는 점 | 365.79°C (rough estimate) |
| 밀도 | 1.1780 (rough estimate) |
| 굴절률 | 1.5330 (estimate) |
| 저장 조건 | 2-8°C |
| 용해도 | 디옥산: 0.1 g/mL, 투명, 무색 |
| 물리적 상태 | 결정성 분말 |
| 색상 | 흰색에서 매우 연한 노란색 |
| BRN | 2279177 |
| 안정성 | 흡습성, 수분 민감성 |
| InChI | InChI=1S/C15H11ClO2/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2 |
| InChIKey | IRXSLJNXXZKURP-UHFFFAOYSA-N |
| SMILES | C(Cl)(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O |
| LogP(분배 계수) | 3.45 |
화학적 성질
9-Fluorenyl chloroformate appears as white crystals with a melting point of 62–64 °C. It is soluble in organic solvents such as CH₂Cl₂, THF, and dioxane. It reacts with alcohols, ammonia or amines, and water.
안전 및 규제
| GHS 분류 | DangerH302 (17.5%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 80 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Carbonochloridic acid, 9H-fluoren-9-ylmethyl esterStatus: Active Update: 29-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28092(9-Fluorenylmethyl) chloroformate: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| Hazard Classes and Categories | Acute Tox. 4 (17.5%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | No |
| RTECS 번호 | LQ6250000 |
| 운송 번호(UN) | UN 3261 8/PG 2 |
| 관세 코드 | 29159020 |
| 위험 문구(R) | 34-20/21/22 |
| 위험 표시 | C,T |
| 안전 문구(S) | 26-36/37/39-45-27 |
| 포장분류 | II |
| 위험 등급 | 6.1Eye Dam. 1Skin Corr. 1B |
| 기존화학 물질 | 99-3-1187 |
| F 고인화성물질 | 10-21 |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
개요
9-Fluorenylmethyl chloroformate (Fmoc-C1) is a significant biochemical reagent introduced by Carpino. It has been widely utilized as a reagent for the introduction of the 9-fluorenylmethoxycarbonyl (Fmoc moiety) in both peptide and nucleotide synthesis, as well as serving as a coupling agent in peptide synthesis[1]. Furthermore, Fmoc-C1 can function as a versatile fluorescent labeling reagent for primary and secondary amines[2].
용도
9-Fluorenylmethyl chloroformate is an N-Protecting agent for peptides research and was used for the pre-column derivatization of the biogenic amines (BAs) cadaverine (Cad), histamine (Him), octopami ne (Ocp), phenylethylamine (Pea), putrescine (Put), spermidine (Spd), spermine (Spm), tyramine (Tym).
일반 설명
Fmoc chloride is a derivatizing agent.