Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Clase	Alkyl halides
Subclass	Halomethanes
Intermediate Tree Nodes	Not available
Direct Parent	Trihalomethanes
Alternative Parents	Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Trihalomethane - Hydrocarbon derivative - Organobromide - Alkyl bromide - Aliphatic acyclic compound
Descripción	This compound belongs to the class of organic compounds known as trihalomethanes. These are organic compounds in which exactly three of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
External Descriptors	one-carbon compound - bromomethanes
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

Estructura 3D

Objetivos asociados (humanos)

CXCL8 Tchem Interleukin-8 (642 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Fecha	Articulo
K1809036	Certificate of Analysis	Mar 08, 2024	T108557

Propiedades químicas y físicas

Sensibilidad	Light sensitive.
Índice de refracción	1.5976
Punto de ebullición (°C)	148-150°C
Punto de fusión (°C)	8-9°C
Peso molecular	252.730 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	251.761 Da
Monoisotopic Mass	249.763 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	8.000
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

Citations of This Product

Calculadoras de soluciones

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Reseñas

Pubchem Sid	528769115
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/528769115
Sonrisas canónicas	C(Br)(Br)Br
IUPAC Name	bromoform
InChIKey	DIKBFYAXUHHXCS-UHFFFAOYSA-N
INCHI	1S/CHBr3/c2-1(3)4/h1H
Isómeros SMILES	C(Br)(Br)Br
WGK Alemania	3
RTECS	PB5600000
PubChem CID	5558
Número ONU	2515
Grupo de embalaje	III
Peso molecular	252.73
Beilstein	1731048
Reaxy-Rn	1731048

Tribromomethane - analytical standard , CAS No.75-25-2

Specifications