9-플루오레닐메틸 클로로폼산
9-Fluorenylmethyl chloroformate
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기본 정보
- CAS
28920-43-6- 표준 SMILES
O=C(Cl)OCC1c2ccccc2-c2ccccc21- InChIKey
IRXSLJNXXZKURP-UHFFFAOYSA-N- 분자식
- C15H11ClO2
- 평균 분자량
- 258.7 g/mol
- 단동위원소 질량
- 258.04475727
개요
used for tagging silica-based derivatization reagents in HPLC
이름 및 식별자
- 우선 이름
- 9-Fluorenylmethyl chloroformate
- IUPAC
- 9H-fluoren-9-ylmethyl carbonochloridate
- 현지명
- 9-플루오레닐메틸 클로로폼산
- 영어명
- 9-Fluorenylmethyl chloroformate
- 분자식
- C15H11ClO2
- 분자량
- 258.7
이름 및 동의어
28920-43-69-Fluorenylmethyl chloroformate9-Fluorenylmethoxycarbonyl chloride1-(9-Fluorenyl)methyl chloroformateFluoren-9-ylmethyl chloroformate9PLB0BTT90FORMIC ACID, CHLORO-, FLUOREN-9-YLMETHYL ESTERDTXSID10183116RefChem:746059-FLMCDTXCID20105607249-313-6
이름 더 보기
9-플루오레닐메틸클로로폼산9-플루오레닐메틸 클로로폼산FoMc-ClFMOC-Cfmoc-ci9-FluorenylmethylFMOC-C1Fluorenylmethyloxycarbonyl chloride
Fmoc-ClFmoc-chloride(9h-fluoren-9-yl)methyl carbonochloridateFmoc chlorideCarbonochloridic acid, 9H-fluoren-9-ylmethyl ester9H-Fluoren-9-ylmethyl chloroformate9H-fluoren-9-ylmethyl carbonochloridate(9H-Fluoren-9-ylmethoxy)carbonyl Chloride
데이터베이스 식별자
- CAS
28920-43-6- PubChem CID
- 34367
- DTXSID
DTXSID10183116- UNII
- 9PLB0BTT90
- EC Number
- 249-313-6
- Nikkaji
- J311E
물성
구조 계산 물성보충 중
- XLogP
- 4.3
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 296
물리화학적 성질
- 녹는점
- 62 · 62-64 °C(lit.)
- 끓는 점
- 365.79 °C · 365.79°C (rough estimate)
- 밀도
- 1.178 · 1.1780 (rough estimate)
- 굴절률
- 1.533 · 1.5330 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 0.1 g/mL, · 디옥산: 0.1 g/mL, 투명, 무색
- 물리적 상태
- 결정성 분말
- 색상
- 흰색에서 매우 연한 노란색
- BRN
- 2279177 · 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
- 3.45 · 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (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.
유해성 정보
Regulatory Information
Chemical: Carbonochloridic acid, 9H-fluoren-9-ylmethyl ester
Status: 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
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesAcute Tox. 4 (17.5%)
안전 데이터
- wgk
- 3
- tsca
- No
- rtecs
- LQ6250000
- ridadr
- UN 3261 8/PG 2
- HS 번호
- 29159020
- risk_code
- 34-20/21/22
- hazard_code
- C,T
- safety_code
- 26-36/37/39-45-27
- 포장분류
- II
- 위험 등급
- 6.1
- 기존화학 물질
- 99-3-1187
- F 고인화성물질
- 10-21
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
응용 분야
개요9-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].
용도9-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 설명Fmoc chloride is a derivatizing agent.
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