Determine the necessary mass, volume, or concentration for preparing a solution.
Ethyl 2,3-difluoro-5-nitrobenzoate - ≥95% , CAS No.1249558-76-6
주문 가능
등급 & 순도 ≥95%
Storage
Room temperature
이 등급을 선택하는 이유
≥95% 최소한의 기준선 간섭이 필요한 민감한 크로마토그래피 및 분석 워크플로우용.
보관 및 배송
Room temperature 출고. 정확한 사양은 로트별 COA를 확인하세요.
품질 문서
SDS, COA, 데이터시트, 사양서를 다운로드할 수 있습니다. 로트별 COA는 로트 번호 조회를 통해 확인할 수 있습니다.
문헌적 근거
크로마토그래피, 유기 합성 및 교차 커플링 반응 분야의 동료 심사 논문 0편에서 인용되었습니다.
사양
사양 및 순도
≥95%
보관 조건
Room temperature
순수함
≥95%
이름과 식별자
정식 스마일
CCOC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])F)F
IUPAC Name
ethyl 2,3-difluoro-5-nitrobenzoate
InChIKey
NHEKHQXERSEBAK-UHFFFAOYSA-N
INCHI
1S/C9H7F2NO4/c1-2-16-9(13)6-3-5(12(14)15)4-7(10)8(6)11/h3-4H,2H2,1H3
분자량
231.150
문서
📋 안전 데이터 시트(SDS)
위험성, 취급, 보관 및 규제 준수를 포괄하는 종합 문서.
<<<<<<< HEAD SDS 다운로드 → ======= SDS 다운로드 → >>>>>>> release248-p3고급 데이터
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 분류 | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzoic acids and derivatives |
| Alternative Parents | 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Fluorobenzenes Aryl fluorides Vinylogous halides Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds Organofluorides Organonitrogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzoate - Benzoate ester - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms. |
| External Descriptors | Not available |
3D 구조
상호 작용 화학 구조 모델
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
| 분자량 | 231.150 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 231.034 Da |
| Monoisotopic Mass | 231.034 Da |
| Topological Polar Surface Area | 72.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 281.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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