1,1,2-Trichloropropane - ≥96%(GC) , CAS No.598-77-6

CAS: 598-77-6 Cat. No.: T162273 Formula: C₃H₅Cl₃ Peso molecolare: 147.42 Beilstein Registry Number: 1(4)199 Numero EC: 209-951-8 PubChem CID: 11733

GRADE & PURITY ≥96%(GC)

Synonyms

HCC 260DB | DTXSID3024362 | SCHEMBL868495 | CAS-598-77-6 | FT-0632489 | LS-12954 | AKOS006230423 | NCGC00248597-01 | EINECS 209-951-8 | MFCD00018864 | D92379 | DTXCID604362 | T0686 | Q27290517 | Tox21_200408 | U085TG80D1 | 1,1,2-TRICHLOROPROPANE | NCGC002

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

HCC 260DB | DTXSID3024362 | SCHEMBL868495 | CAS-598-77-6 | FT-0632489 | LS-12954 | AKOS006230423 | NCGC00248597-01 | EINECS 209-951-8 | MFCD00018864 | D92379 | DTXCID604362 | T0686 | Q27290517 | Tox21_200408 | U085TG80D1 | 1,1,2-TRICHLOROPROPANE | NCGC002

Specifiche e purezza

≥96%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥96%(GC)

Nomi e identificatori

Pubchem Sid

504752185

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752185

Sorrisi canonici

CC(C(Cl)Cl)Cl

IUPAC Name

1,1,2-trichloropropane

InChIKey

GRSQYISVQKPZCW-UHFFFAOYSA-N

INCHI

1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3

Isomeri SMILES

CC(C(Cl)Cl)Cl

RTECS

TZ8925000

PubChem CID

11733

Peso molecolare

147.42

Beilstein

1(4)199

Reaxy-Rn

1731988

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.47
• Punto di infiammabilità (°C): 44 °C
• Punto di ebollizione (°C): 133°C
• Peso molecolare: 147.430 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 145.946 Da
• Monoisotopic Mass: 145.946 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 35.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥96% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 598-77-6, the molecular formula is C3H5Cl3, and the molecular weight is 147.42 g/mol. InChIKey GRSQYISVQKPZCW-UHFFFAOYSA-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.