2-Bromo-3-nitrobenzaldehyde - ≥98% , CAS No.90407-21-9

CAS: 90407-21-9 Cat. No.: B187987 분자식: C₇H₄BrNO₃ 분자량: 230.02

GRADE & PURITY ≥98%

Synonyms

EN300-187989 | Z1269125956 | MFCD15527595 | SY047873 | Benzaldehyde, 2-bromo-3-nitro- | 2-BROMO-3-NITROBENZALDEHYDE | 2-bromo-3-nitro-benzaldehyde | DTXSID20523685 | 2-Bromo-3-nitrobenzaldehyde, AldrichCPR | SCHEMBL6293613 | ZAYPDOMLBUBLDN-UHFFFAOYSA-N |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

EN300-187989 | Z1269125956 | MFCD15527595 | SY047873 | Benzaldehyde, 2-bromo-3-nitro- | 2-BROMO-3-NITROBENZALDEHYDE | 2-bromo-3-nitro-benzaldehyde | DTXSID20523685 | 2-Bromo-3-nitrobenzaldehyde, AldrichCPR | SCHEMBL6293613 | ZAYPDOMLBUBLDN-UHFFFAOYSA-N |

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

528757090

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528757090

정식 스마일

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

IUPAC Name

2-bromo-3-nitrobenzaldehyde

InChIKey

ZAYPDOMLBUBLDN-UHFFFAOYSA-N

INCHI

1S/C7H4BrNO3/c8-7-5(4-10)2-1-3-6(7)9(11)12/h1-4H

이성체 SMILES

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

분자량

230.02

Reaxy-Rn

4984896

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4984896&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzaldehydes
• Alternative Parents: Nitroaromatic compounds Benzoyl derivatives Benzaldehydes Bromobenzenes Aryl bromides Vinylogous halides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzaldehyde - Benzaldehyde - Nitroaromatic compound - Benzoyl - Bromobenzene - Halobenzene - Aryl-aldehyde - Aryl halide - Aryl bromide - Vinylogous halide - 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 oxide - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Aldehyde - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic cation - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as nitrobenzaldehydes. These are nitrobenzenes that carry an aldehyde group at any position of the 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

• 분자량: 230.020 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 228.937 Da
• Monoisotopic Mass: 228.937 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 192.000
• 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