4-Nitroindan - ≥97% , CAS No.34701-14-9

CAS: 34701-14-9 Cat. No.: N339137 분자식: C₉H₉NO₂ 분자량: 163.17

등급 & 순도 ≥97%

Synonyms

1H-Indene, 2,3-dihydro-4-nitro- | AKOS015898203 | J-019718 | FT-0619235 | EINECS 252-159-2 | AS-42815 | ZQABKMBXKCJTPM-UHFFFAOYSA-N | NSC 76671 | NSC76671 | NSC-76671 | 4-nitroindane | 2,3-Dihydro-4-nitro-1H-indene | MFCD00078173 | 4-nitro-2,3-dihydro-1H-

Storage

Store at 2-8°C

Shipped In

Wet ice

사양

동의어

1H-Indene, 2,3-dihydro-4-nitro- | AKOS015898203 | J-019718 | FT-0619235 | EINECS 252-159-2 | AS-42815 | ZQABKMBXKCJTPM-UHFFFAOYSA-N | NSC 76671 | NSC76671 | NSC-76671 | 4-nitroindane | 2,3-Dihydro-4-nitro-1H-indene | MFCD00078173 | 4-nitro-2,3-dihydro-1H-

사양 및 순도

≥97%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥97%

이름과 식별자

Pubchem Sid

504758137

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758137

정식 스마일

C1CC2=C(C1)C(=CC=C2)[N+](=O)[O-]

IUPAC Name

4-nitro-2,3-dihydro-1H-indene

InChIKey

ZQABKMBXKCJTPM-UHFFFAOYSA-N

INCHI

1S/C9H9NO2/c11-10(12)9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5H2

이성체 SMILES

C1CC2=C(C1)C(=CC=C2)[N+](=O)[O-]

WGK 독일

3

분자량

163.17

Reaxy-Rn

1871639

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1871639&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indane - Nitroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
• External Descriptors: Not available

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

화학 및 물리적 특성

• 발화점(°F): >230 °F
• 발화점(°C): >110 °C
• 끓는점(°C): 105-107° C at 6 mmHg
• 녹는점(°C): 41-43° C
• 분자량: 163.170 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 163.063 Da
• Monoisotopic Mass: 163.063 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 187.000
• 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