4-브로모-3-메틸페놀 - ≥98%(GC) , CAS No.14472-14-1

CAS: 14472-14-1 Cat. No.: B124282 분자식: C₇H₇BrO 분자량: 187.03 Beilstein Registry Number: 1859122 EC 번호: 238-464-3

등급 & 순도 ≥98%(GC)

Synonyms

4-bromo-5-methyl-phenol | 4-bromo-3-methyl phenol | 9KTP3W6RV2 | AS-17315 | SB33667 | SCHEMBL49999 | Z401597308 | EINECS 238-464-3 | EN300-111587 | InChI=1/C7H7BrO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H | AC-6544 | BP-12644 | Phenol, 4-bromo-3-methyl- | 4-Bromo-

Storage

Room temperature

Shipped In

보통

개요

설명: 4-브로모-3-메틸페놀

4-브로모-3-메틸페놀은 브롬화 페놀입니다. 3-메틸칼릭스[4]아렌의 총 합성에 참여합니다.

응용 프로그램 : 응용 프로그램

4- 브로모 -3- 메틸 페놀은 브로모 [2- 메틸 -4- [2- (t- 부틸 디메틸 실릴 옥시) 에틸 옥시] 페닐] 비스 (트리 페닐 포샤인) 니켈 (II) (보호 알코올 기능화 개시제) 및 브로모- [2- 메틸 -4- [6- (티 부틸 디메틸 실릴 옥시) 헥 실록시] 페닐] 비스 (트리 페닐 포핀) 니켈의 합성에 사용될 수 있습니다.

사양

동의어

4-bromo-5-methyl-phenol | 4-bromo-3-methyl phenol | 9KTP3W6RV2 | AS-17315 | SB33667 | SCHEMBL49999 | Z401597308 | EINECS 238-464-3 | EN300-111587 | InChI=1/C7H7BrO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H | AC-6544 | BP-12644 | Phenol, 4-bromo-3-methyl- | 4-Bromo-

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

보통

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

488184720

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184720

정식 스마일

CC1=C(C=CC(=C1)O)Br

IUPAC Name

4-bromo-3-methylphenol

InChIKey

GPOQODYGMUTOQL-UHFFFAOYSA-N

INCHI

1S/C7H7BrO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3

이성체 SMILES

CC1=C(C=CC(=C1)O)Br

WGK 독일

3

분자량

187.03

Beilstein

1859122

Reaxy-Rn

1859122

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1859122&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: Cresols
• Intermediate Tree Nodes: Not available
• Direct Parent: Meta cresols
• Alternative Parents: P-bromophenols Toluenes Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-halophenol - M-cresol - 4-bromophenol - Bromobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Organohalogen compound - Organic oxygen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively.
• 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 Methanol
• 끓는점(°C): 145°C/23mmHg
• 녹는점(°C): 66.0-70.0°C
• 분자량: 187.030 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 185.968 Da
• Monoisotopic Mass: 185.968 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• 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