3-Nitrophenol - indicator , CAS No.554-84-7

CAS: 554-84-7 Cat. No.: N432900 분자식: C₆H₅NO₃ 분자량: 139.11 Beilstein Registry Number: 1907946 EC 번호: 209-073-5

GRADE & PURITY Indicator

Synonyms

3-Nitrophenol, purum, >=98.0% (HPLC) | AKOS000119831 | Phenol, 3-nitro- | STK290830 | Tox21_200022 | AKOS024268500 | SR-1C3 | BIDD:ER0534 | N-3595 | M-NITROPHENOL | Z57160187 | CAS-554-84-7 | 3-Hydroxynitrobenzene | NSC 1551 | 1-Hydroxy-3-nitrobenzene | N

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

동의어

3-Nitrophenol, purum, >=98.0% (HPLC) | AKOS000119831 | Phenol, 3-nitro- | STK290830 | Tox21_200022 | AKOS024268500 | SR-1C3 | BIDD:ER0534 | N-3595 | M-NITROPHENOL | Z57160187 | CAS-554-84-7 | 3-Hydroxynitrobenzene | NSC 1551 | 1-Hydroxy-3-nitrobenzene | N

사양 및 순도

indicator

보관 조건

Room temperature

배송

FedEx DG Service

등급

지표

이름과 식별자

정식 스마일

C1=CC(=CC(=C1)O)[N+](=O)[O-]

IUPAC Name

3-nitrophenol

InChIKey

RTZZCYNQPHTPPL-UHFFFAOYSA-N

INCHI

1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H

이성체 SMILES

C1=CC(=CC(=C1)O)[N+](=O)[O-]

WGK 독일

3

RTECS

SM1925000

UN 번호

1663

포장 그룹

III

분자량

139.11

Beilstein

1907946

Reaxy-Rn

1907946

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907946&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenols
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - 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 - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
• External Descriptors: an aromatic compound

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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MIA PaCa-2 (5949 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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관련 대상(비인간)

Bacillus subtilis (32866 Activities)

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Plasmodium falciparum (966862 Activities)

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L1210 (27553 Activities)

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Colon (26 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: insoluble 13.5g/L
• 끓는점(°C): 194°C
• 녹는점(°C): 96-97°C
• 분자량: 139.110 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 139.027 Da
• Monoisotopic Mass: 139.027 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• 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

자주 묻는 질문

What does indicator mean?

indicator is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. indicator is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 554-84-7, the molecular formula is C6H5NO3, and the molecular weight is 139.11 g/mol. InChIKey RTZZCYNQPHTPPL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.