(4-Bromophenyl)acetaldehyde - ≥95% , CAS No.27200-79-9

CAS: 27200-79-9 Cat. No.: B590922 분자식: C₈H₇BrO 분자량: 199.05 EC 번호: 892-384-9

GRADE & PURITY ≥95%

Synonyms

(4-bromophenyl)acetaldehyde | (4-BROMO-PHENYL)-ACETALDEHYDE | MFCD02261728 | SY110273 | A818953 | YSCH0237 | DS-10540 | 4-Bromophenylacetaldehyde | AM20080758 | FT-0650757 | RFBONBFMRTWGGB-UHFFFAOYSA-N | Benzeneacetaldehyde, 4-bromo- | AKOS010077824 | AC-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

동의어

(4-bromophenyl)acetaldehyde | (4-BROMO-PHENYL)-ACETALDEHYDE | MFCD02261728 | SY110273 | A818953 | YSCH0237 | DS-10540 | 4-Bromophenylacetaldehyde | AM20080758 | FT-0650757 | RFBONBFMRTWGGB-UHFFFAOYSA-N | Benzeneacetaldehyde, 4-bromo- | AKOS010077824 | AC-

사양 및 순도

≥95%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥95%

이름과 식별자

• Pubchem Sid: 528760707
• 정식 스마일: C1=CC(=CC=C1CC=O)Br
• IUPAC Name: 2-(4-bromophenyl)acetaldehyde
• InChIKey: RFBONBFMRTWGGB-UHFFFAOYSA-N
• INCHI: 1S/C8H7BrO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,6H,5H2
• 이성체 SMILES: C1=CC(=CC=C1CC=O)Br
• 분자량: 199.05
• Reaxy-Rn: 2240954
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2240954&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Phenylacetaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetaldehydes
• Alternative Parents: Bromobenzenes Aryl bromides Alpha-hydrogen aldehydes Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetaldehyde - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Alpha-hydrogen aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylacetaldehydes. These are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde.
• 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

• 감도: Air Sensitive
• 분자량: 199.040 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 197.968 Da
• Monoisotopic Mass: 197.968 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 106.000
• 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