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α,α,α-Trichlorotoluene - 99%, high purity , CAS No.98-07-7

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α,α,α-Trichlorotoluene - 99%, high purity , CAS No.98-07-7

2 Citations

COA

Grade & Purity:

≥99%

Cas Number: 98-07-7
Molecular Weight: 195.47
Beilstein Registry Number: 508152
EC Number: 202-634-5
MDL number: MFCD00000786
PubChem CID: 7367

In stock

Item Number

T111457

Grouped product items
SKU	Size	Availability	Price
T111457-25g	25g	3	$15.90
T111457-100g	100g	3	$19.90
T111457-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$34.90

View related series

Halogenated hydrocarbon (21) Non heterocyclic block (8163)

Basic Description

Synonyms	4-05-00-00820 (Beilstein Handbook Reference) \| alpha,alpha,alpha-Trichlorotoluene, analytical standard \| Chlorure de benzenyle [French] \| EC 202-634-5 \| A845800 \| Benzylidyne chloride \| EINECS 250-252-2 \| NSC14663 \| NSC-14663 \| Toluene, alpha,alpha,alpha,
Specifications & Purity	≥99%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
Description	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	benzenes
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

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

Associated Targets(non-human)

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	trichloromethylbenzene
INCHI	InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKey	XEMRAKSQROQPBR-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C(Cl)(Cl)Cl
Isomeric SMILES	C1=CC=C(C=C1)C(Cl)(Cl)Cl
WGK Germany	3
RTECS	XT9275000
PubChem CID	7367
UN Number	2226
Packing Group	II
Molecular Weight	195.47
Beilstein	508152

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot Number	Certificate Type	Date	Item
F2130335	Certificate of Analysis	Apr 02, 2025	T111457
F2130337	Certificate of Analysis	Apr 02, 2025	T111457
F2130341	Certificate of Analysis	Apr 02, 2025	T111457
G1727057	Certificate of Analysis	Feb 08, 2025	T111457
H1929053	Certificate of Analysis	Jun 07, 2023	T111457
L2215841	Certificate of Analysis	Nov 01, 2022	T111457
L2215840	Certificate of Analysis	Nov 01, 2022	T111457
L2215839	Certificate of Analysis	Nov 01, 2022	T111457
A2508160	Certificate of Analysis	Jul 03, 2021	T111457

Chemical and Physical Properties

Solubility	Solubility in water: Decomposes in contact with water,Insoluble; Soluble in Alcohol,Ether
Sensitivity	Light & air Sensitive,Hygroscopic
Refractive Index	1.558
Flash Point(°F)	228.2 °F
Flash Point(°C)	97℃
Boil Point(°C)	219-223°C
Melt Point(°C)	-7.5°C
Molecular Weight	195.500 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	193.946 Da
Monoisotopic Mass	193.946 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	99.900
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

Alternative Products

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Xing Qianqian, Zhao Jiancheng, Zhu Yulei, Hou Xianglin, Wang Yingxiong. (2023) Triphosgene: an efficient chlorination reagent for synthesis of 5-chloro-2-pentanone from 3-acetyl-1-propanol. RESEARCH ON CHEMICAL INTERMEDIATES, 49 (1): (241-252).
2. Xuemin Sun, Xiao Liu, Qiang Chen, Pingxia Guo, Yanyan Bai, Kun Zou, Ming Yi, Shuyan Yang, Meirong Cai, Feng Zhou, Weimin Liu. (2024) Amino acid-based ionic liquids as water-ethylene glycol additives towards superior lubricity and corrosion resistance. JOURNAL OF MOLECULAR LIQUIDS, 401 (124706).

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