α-Bromodiphenylmethane - ≥96%(GC) , CAS No.776-74-9

CAS: 776-74-9 Cat. No.: A134025 분자식: C₁₃H₁₁Br 분자량: 247.14 Beilstein Registry Number: 5592 EC 번호: 212-279-8

GRADE & PURITY ≥96%(GC)

Synonyms

.ALPHA.-PHENYLBENZYL BROMIDE | Q4973730 | AKOS008901412 | diphenyl bromomethane | MFCD00000134 | Ph2CHBr | EN300-174981 | SCHEMBL67123 | DTXSID90870774 | InChI=1/C13H11Br/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13 | J-519945 | 2H-Pyrido[3,2-b]-1,4-o

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Specifications

동의어

.ALPHA.-PHENYLBENZYL BROMIDE | Q4973730 | AKOS008901412 | diphenyl bromomethane | MFCD00000134 | Ph2CHBr | EN300-174981 | SCHEMBL67123 | DTXSID90870774 | InChI=1/C13H11Br/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13 | J-519945 | 2H-Pyrido[3,2-b]-1,4-o

사양 및 순도

≥96%(GC)

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice,FedEx DG Service

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순수함

≥96%(GC)

이름과 식별자

• Pubchem Sid: 508812290
• 정식 스마일: C1=CC=C(C=C1)C(C2=CC=CC=C2)Br
• IUPAC Name: [bromo(phenyl)methyl]benzene
• InChIKey: OQROAIRCEOBYJA-UHFFFAOYSA-N
• INCHI: 1S/C13H11Br/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
• 이성체 SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)Br
• WGK 독일: 3
• RTECS: PA5350000
• UN 번호: 1770
• 포장 그룹: II
• 분자량: 247.14
• Beilstein: 5592
• Reaxy-Rn: 638544
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=638544&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

• 용해성: Soluble in alcohol
• 감도: Moisture sensitive；Light sensitive
• 발화점(°F): 230°F
• 발화점(°C): >110 °C
• 끓는점(°C): 193 °C
• 녹는점(°C): 36-41℃
• 분자량: 247.130 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 246.004 Da
• Monoisotopic Mass: 246.004 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 137.000
• 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