p-Nitrophenol - ≥99%, contains ~3% water , CAS No.100-02-7

CAS: 100-02-7 Cat. No.: P572406 분자식: C₆H₅NO₃ 분자량: 139.11 Beilstein Registry Number: 1281877 EC 번호: 202-811-7

등급 & 순도 ≥99%, contains ~3% water

Synonyms

4-Nitrophenol|p-nitrophenol|100-02-7|Phenol, 4-nitro-|Niphen|Paranitrophenol|4-Hydroxynitrobenzene|p-Hydroxynitrobenzene|Phenol, p-nitro-|para-nitrophenol|Mononitrophenol|Paranitrofenol|Paranitrofenolo|p-Nitrofenol|4-Nitrofenol|RCRA waste number U170|Casw

Storage

Room temperature

Shipped In

FedEx DG Service

사양

동의어

4-Nitrophenol | p-nitrophenol | 100-02-7 | Phenol, 4-nitro- | Niphen | Paranitrophenol | 4-Hydroxynitrobenzene | p-Hydroxynitrobenzene | Phenol, p-nitro- | para-nitrophenol | Mononitrophenol | Paranitrofenol | Paranitrofenolo | p-Nitrofenol | 4-Nitrofenol | RCRA waste number U170 | Casw

사양 및 순도

≥99%, contains ~3% water

보관 조건

Room temperature

배송

FedEx DG Service

순수함

≥99%

이름과 식별자

Pubchem Sid

488179581

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179581

정식 스마일

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

IUPAC Name

4-nitrophenol

InChIKey

BTJIUGUIPKRLHP-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

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

UN 번호

1663

포장 그룹

III

분자량

139.11

Beilstein

1281877

Reaxy-Rn

1281877

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1281877&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-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-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: mononitrophenol

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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CYP2E1 Tchem Cytochrome P450 2E1 (2174 Activities)

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CCRF-CEM (65223 Activities)

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MIA PaCa-2 (5949 Activities)

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UGT2B7 Tchem UDP-glucuronosyltransferase 2B7 (787 Activities)

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UGT2B17 Tbio UDP-glucuronosyltransferase 2B17 (197 Activities)

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Liver microsomes (16955 Activities)

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Liver (3974 Activities)

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Skin (286 Activities)

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UGT2B4 Tbio UDP-glucuronosyltransferase 2B4 (139 Activities)

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UGT2B10 Tbio UDP-glucuronosyltransferase 2B10 (42 Activities)

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UGT2B15 Tbio UDP-glucuronosyltransferase 2B15 (172 Activities)

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UGT2B28 Tbio UDP-glucuronosyltransferase 2B28 (9 Activities)

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UGT1A1 Tchem UDP-glucuronosyltransferase 1-1 (448 Activities)

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SULT1A1 Tchem Sulfotransferase 1A1 (111 Activities)

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SULT1A2 Tbio Sulfotransferase 1A2 (3 Activities)

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SULT1A3 Tbio Sulfotransferase 1A3/1A4 (8 Activities)

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SULT1B1 Tbio Sulfotransferase family cytosolic 1B member 1 (8 Activities)

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SULT1C2 Tbio Sulfotransferase 1C2 (2 Activities)

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SULT1C4 Tbio Sulfotransferase 1C4 (8 Activities)

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SULT4A1 Tbio Sulfotransferase 4A1 (6 Activities)

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UGT1A6 Tbio UDP-glucuronosyltransferase 1-6 (221 Activities)

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UGT1A7 Tbio UDP-glucuronosyltransferase 1-7 (106 Activities)

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UGT1A8 Tbio UDP-glucuronosyltransferase 1-8 (233 Activities)

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UGT1A10 Tbio UDP-glucuronosyltransferase 1-10 (257 Activities)

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PLA2G1B Phospholipase A2 group 1B (227 Activities)

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Abcb1b P-glycoprotein 1 (174 Activities)

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Staphylococcus aureus (210822 Activities)

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L1210 (27553 Activities)

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E Lysozyme (95 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Freely soluble in alcohol, chloroform, ether. Freely soluble in acetone. Slightly soluble in water.
• 감도: Sensitive to light
• 발화점(°C): 169℃
• 끓는점(°C): 279°C
• 녹는점(°C): 110 - 115 °C
• 분자량: 139.110 g/mol
• XLogP3: 1.900
• 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: 123.000
• 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