4-브로모-2-메틸아닐린 - ≥98% , CAS No.583-75-5

CAS: 583-75-5 Cat. No.: B100843 분자식: C₇H₈BrN 분자량: 186.05 Beilstein Registry Number: 12838 EC 번호: 209-519-9

등급 & 순도 ≥98%

Synonyms

EN300-21104 | AKOS000121494 | BCP23023 | 4-bromo-2-methylphenylamine | MFCD00007825 | 4-bromo-2-methylbenzenamine | EINECS 209-519-9 | STK286022 | F3099-6376 | FT-0658634 | 1-amino-4-bromo-2-methylbenzene | 4-Bromo-o-toluidine | InChI=1/C7H8BrN/c1-5-4-6(8

Storage

2-8°C, 아르곤 충전 상태로 보관

Shipped In

젖은 얼음

사양

동의어

EN300-21104 | AKOS000121494 | BCP23023 | 4-bromo-2-methylphenylamine | MFCD00007825 | 4-bromo-2-methylbenzenamine | EINECS 209-519-9 | STK286022 | F3099-6376 | FT-0658634 | 1-amino-4-bromo-2-methylbenzene | 4-Bromo-o-toluidine | InChI=1/C7H8BrN/c1-5-4-6(8

사양 및 순도

≥98%

보관 조건

2-8°C, 아르곤 충전 상태로 보관

배송

젖은 얼음

순수함

≥98%

이름과 식별자

Pubchem Sid

488181336

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181336

정식 스마일

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

IUPAC Name

4-bromo-2-methylaniline

InChIKey

PCHYYOCUCGCSBU-UHFFFAOYSA-N

INCHI

1S/C7H8BrN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3

이성체 SMILES

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

WGK 독일

3

RTECS

XU4250000

분자량

186.05

Beilstein

12838

Reaxy-Rn

636521

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636521&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Aniline and substituted anilines Bromobenzenes Aryl bromides Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
• 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& heat sensitive
• 발화점(°F): 235.4 °F
• 발화점(°C): 113 °C
• 끓는점(°C): 240°C
• 녹는점(°C): 57-59°C
• 분자량: 186.050 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 184.984 Da
• Monoisotopic Mass: 184.984 Da
• Topological Polar Surface Area: 26.000 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