(S)-(+)-Citronellyl bromide - ≥95% , CAS No.143615-81-0

CAS: 143615-81-0 Cat. No.: S467116 분자식: C₁₀H₁₉Br 분자량: 219.16 EC 번호: 629-109-7 PubChem CID: 10900106

GRADE & PURITY ≥95%

Synonyms

(S)-(+)-Citronellyl bromide | DTXSID30447702 | (S)-(+)-8-Bromo-2,6-dimethyl-2-octene | (S)-(+)-Citronellyl bromide, 95% | AS-82004 | (S)(-)Citronellyl bromide | AKOS025294503 | QPKCDMXLSDFCQD-JTQLQIEISA-N | 2-Octene,8-bromo-2,6-dimethyl-, (6S)- | (S)-citr

Storage

Room temperature

Specifications

동의어

(S)-(+)-Citronellyl bromide | DTXSID30447702 | (S)-(+)-8-Bromo-2,6-dimethyl-2-octene | (S)-(+)-Citronellyl bromide, 95% | AS-82004 | (S)(-)Citronellyl bromide | AKOS025294503 | QPKCDMXLSDFCQD-JTQLQIEISA-N | 2-Octene,8-bromo-2,6-dimethyl-, (6S)- | (S)-citr

사양 및 순도

≥95%

보관 조건

Room temperature

순수함

≥95%

이름과 식별자

Pubchem Sid

488196904

정식 스마일

CC(CCC=C(C)C)CCBr

IUPAC Name

(6S)-8-bromo-2,6-dimethyloct-2-ene

InChIKey

QPKCDMXLSDFCQD-JTQLQIEISA-N

INCHI

1S/C10H19Br/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-8H2,1-3H3/t10-/m0/s1

이성체 SMILES

C[C@@H](CCC=C(C)C)CCBr

WGK 독일

3

PubChem CID

10900106

분자량

219.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyclic monoterpenoids
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic monoterpenoid - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.
• 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

• 굴절률: n20/D 1.474 (lit.)
• 특정 회전[α]: [α]20/D +6.8°, neat
• 발화점(°F): 203 °F
• 발화점(°C): 95 °C
• 끓는점(°C): 111° C at 12 mmHg
• 분자량: 219.160 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 218.067 Da
• Monoisotopic Mass: 218.067 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 112.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 143615-81-0, the molecular formula is C10H19Br, and the molecular weight is 219.16 g/mol. InChIKey QPKCDMXLSDFCQD-JTQLQIEISA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.