1,2-Diethylbenzene - technical grade, ≥92% , CAS No.135-01-3

CAS: 135-01-3 Cat. No.: D130062 분자식: C₁₀H₁₄ 분자량: 134.22 Beilstein Registry Number: 1904392 EC 번호: 205-170-1

등급 & 순도 Technical grade, ≥92%

Synonyms

1,2-Diethylbenzene, technical grade, 92% | Tox21_303467 | LS-13808 | BIDD:ER0356 | EC 246-874-9 | InChI=1/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H | DSSTox_RID_78595 | 1,2-DIETHYLBENZENE [HSDB] | Diethylbenzene [UN2049] [Flammable liquid] | NCGC00

Storage

Room temperature

Shipped In

FedEx DG Service

사양

동의어

1,2-Diethylbenzene, technical grade, 92% | Tox21_303467 | LS-13808 | BIDD:ER0356 | EC 246-874-9 | InChI=1/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H | DSSTox_RID_78595 | 1,2-DIETHYLBENZENE [HSDB] | Diethylbenzene [UN2049] [Flammable liquid] | NCGC00

사양 및 순도

technical grade, ≥92%

보관 조건

Room temperature

배송

FedEx DG Service

등급

기술 등급

순수함

≥92%

이름과 식별자

Pubchem Sid

488180852

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180852

정식 스마일

CCC1=CC=CC=C1CC

IUPAC Name

1,2-diethylbenzene

InChIKey

KVNYFPKFSJIPBJ-UHFFFAOYSA-N

INCHI

1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3

이성체 SMILES

CCC1=CC=CC=C1CC

WGK 독일

2

RTECS

CZ5640000

UN 번호

2049

포장 그룹

III

분자량

134.22

Beilstein

1904392

Reaxy-Rn

1904392

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904392&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: Miscible with alcohol, benzene and carbon tetrachloride. Immiscible with water.
• 감도: heat sensitive
• 굴절률: 1.505
• 발화점(°F): 267.8℉
• 발화점(°C): 131℃
• 끓는점(°C): 183°C
• 녹는점(°C): -31°C
• 분자량: 134.220 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 134.11 Da
• Monoisotopic Mass: 134.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 74.000
• 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