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Benzenemethanol, dichloro- , CAS No.12041-76-8

Benzenemethanol, dichloro- , CAS No.12041-76-8

Name: Benzenemethanol, dichloro- , CAS No.12041-76-8
SKU: B1234414
Availability: InStock

CAS: 12041-76-8 Cat. No.: B1234414 Summenformel: C₇H₆Cl₂O Molekulargewicht: 177.02 PubChem CID: 25493

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Specifications Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Storage

Room temperature

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Namen und Kennungen

Kanonisches Lächeln

C1=CC=C(C=C1)C(O)(Cl)Cl

IUPAC Name

dichloro(phenyl)methanol

InChIKey

DFTKKYALBJHNLT-UHFFFAOYSA-N

INCHI

1S/C7H6Cl2O/c8-7(9,10)6-4-2-1-3-5-6/h1-5,10H

Isomere SMILES

C1=CC=C(C=C1)C(O)(Cl)Cl

Alternative CAS-Nummer

12041-76-8

PubChem CID

25493

Molekulargewicht

177.02

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Klasse Benzene and substituted derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Klasse	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Organochlorides Hydrocarbon derivatives Aromatic alcohols Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Alcohol - Aromatic homomonocyclic compound
Beschreibung	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
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

3D-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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

Analytical Chart:

Chemische und physikalische Eigenschaften

Molekulargewicht	177.020 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	175.98 Da
Monoisotopic Mass	175.98 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	108.000
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

Lösungsrechner

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