Benzoylnitromethane - ≥98% , CAS No.614-21-1

CAS: 614-21-1 Cat. No.: B472535 분자식: C6H5COCH2NO2 분자량: 165.15 EC 번호: 628-782-4
주문 가능
GRADE & PURITY ≥98%
Synonyms
Benzoylnitromethane, 98% | 2-nitro-1-phenylethan-1-one | .alpha.-Nitroacetophenone | NSC 4509 | Ethanone, 2-nitro-1-phenyl- | J-200087 | F87430 | 12Z0SU967A | J-800260 | MFCD00010218 | Alpha-nitro acetophenone | NSC4509 | NSC-4509 | A833211 | alpha-Nitroa
Storage
Store at 2-8°C
Shipped In
Wet ice
★
Size
USA
독일 (EU)*
Price
Qty
1g
B472535-1g
3 재고 있음
—

US$11.90

US$17.90
저장 US$6.00 (33.52%)
5g
B472535-5g
2 재고 있음
—

US$40.90

US$61.90
저장 US$21.00 (33.93%)
25g
B472535-25g
1 재고 있음
—

US$134.90

US$202.90
저장 US$68.00 (33.51%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

Description

The kinetics of proton transfer from benzoylnitromethane to various bases was studied.

Specifications

동의어
Benzoylnitromethane, 98% | 2-nitro-1-phenylethan-1-one | .alpha.-Nitroacetophenone | NSC 4509 | Ethanone, 2-nitro-1-phenyl- | J-200087 | F87430 | 12Z0SU967A | J-800260 | MFCD00010218 | Alpha-nitro acetophenone | NSC4509 | NSC-4509 | A833211 | alpha-Nitroa
사양 및 순도
≥98%
보관 조건
Store at 2-8°C
배송
Wet ice
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
순수함
≥98%
이름과 식별자
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504756241
정식 스마일
C1=CC=C(C=C1)C(=O)C[N+](=O)[O-]
IUPAC Name
2-nitro-1-phenylethanone
InChIKey
JTWHVBNYYWFXSI-UHFFFAOYSA-N
INCHI
1S/C8H7NO3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2
이성체 SMILES
C1=CC=C(C=C1)C(=O)C[N+](=O)[O-]
WGK 독일
3
분자량
165.15
Reaxy-Rn
973465
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=973465&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
분류Organooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Benzoyl derivatives  Aryl alkyl ketones  C-nitro compounds  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
설명This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
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:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate Type날짜항목
I2311280Certificate of AnalysisAug 25, 2023 B472535
I2311281Certificate of AnalysisAug 25, 2023 B472535
I2311282Certificate of AnalysisAug 25, 2023 B472535
I2311329Certificate of AnalysisAug 25, 2023 B472535
I2311330Certificate of AnalysisAug 25, 2023 B472535
I2311331Certificate of AnalysisAug 25, 2023 B472535
화학 및 물리적 특성
감도Moisture sensitive
녹는점(°C)102°C-107°C
분자량165.150 g/mol
XLogP31.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass165.043 Da
Monoisotopic Mass165.043 Da
Topological Polar Surface Area62.900 Ų
Heavy Atom Count12
Formal Charge0
Complexity179.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
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