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2,4-Dichloroaniline - 99%, high purity , CAS No.554-00-7

7 Citations

COA

Grade & Purity:

≥99%

Cas Number: 554-00-7
Molecular Weight: 162.02
Beilstein Registry Number: 386422
EC Number: 209-057-8
MDL number: MFCD00007661
PubChem CID: 11123
PubChem SID: 488181265

In stock

Item Number

D103990

Grouped product items
SKU	Size	Availability	Price
D103990-25g	25g	3	$31.90
D103990-100g	100g	4	$112.90
D103990-500g	500g	2	$507.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	CCRIS 6012 \| RP10174 \| 2,4DICHLORO ANILINE \| 2,4-Dichloro Aniline \| NSC8756 \| NSC-8756 \| SCHEMBL158279 \| 2,4-DICHLOROANILINE \| 2,4-di-chloroaniline \| 2,4-dichloro-aniline \| W-105564 \| A830623 \| CHEBI:46635 \| NCGC00257110-01 \| 2,4-dichlorobenzene aniline \|
Specifications & Purity	≥99%
Storage Temp	Protected from light
Shipped In	Normal
Product Description	2,4-Dichloroaniline is degraded by Delftia tsuruhatensis H1. 2,4-Dichloroaniline metabolite is detected in human urine sample by GC/MS and high performance liquid chromatograph

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes
      - Level5 Chlorobenzenes
        Level6 Dichlorobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Chlorobenzenes
Direct Parent	Dichlorobenzenes
Alternative Parents	Aniline and substituted anilines Aryl chlorides Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aniline or substituted anilines - 1,3-dichlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
External Descriptors	dichloroaniline
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)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Pubchem Sid	488181265
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181265
IUPAC Name	2,4-dichloroaniline
INCHI	InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
InChIKey	KQCMTOWTPBNWDB-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1Cl)Cl)N
Isomeric SMILES	C1=CC(=C(C=C1Cl)Cl)N
WGK Germany	3
RTECS	BX2600000
UN Number	3442
Packing Group	II
Molecular Weight	162.02
Beilstein	386422
Reaxy-Rn	386422
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386422&ln=

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.

7 results found

Lot Number	Certificate Type	Date	Item
I2424262	Certificate of Analysis	Jun 27, 2024	D103990
B2308403	Certificate of Analysis	Feb 18, 2023	D103990
H2212184	Certificate of Analysis	Jun 20, 2022	D103990
H2212182	Certificate of Analysis	Jun 20, 2022	D103990
H2212185	Certificate of Analysis	Jun 20, 2022	D103990
B2308406	Certificate of Analysis	Sep 29, 2021	D103990
F23151006	Certificate of Analysis	Sep 29, 2021	D103990

Chemical and Physical Properties

Solubility	Slightly soluble in water, soluble in ethanol and ether.
Sensitivity	Light sensitive.
Flash Point(°F)	239 °F
Flash Point(°C)	115℃
Boil Point(°C)	245°C
Melt Point(°C)	59-65℃
Molecular Weight	162.010 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	160.98 Da
Monoisotopic Mass	160.98 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	97.100
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

How to Cite Aladdin Scientific Products?

1. Cholnam Ri, Fengxiang Li, Hyokchol Mun, Linan Liu, Jingchun Tang. (2023) Ball-milled Fe0/FeS2 enhanced interaction of Shewanella oneidensis MR-1 with anaerobic microbial community: Impact on 2,4-dichloronitrobenzene reduction and methane yield. CHEMICAL ENGINEERING JOURNAL, 452 (139086).
2. Di Zhang, Tom Bond, Yang Pan, Mingli Li, Jiayi Luo, Rong Xiao, Wenhai Chu. (2022) Identification, Occurrence, and Cytotoxicity of Haloanilines: A New Class of Aromatic Nitrogenous Disinfection Byproducts in Chloraminated and Chlorinated Drinking Water. ENVIRONMENTAL SCIENCE & TECHNOLOGY, 56 (7): (4132–4141).
3. Linlin Chen, Junjie Shao, Hui Chen, Caiqin Wang, Xinyi Gao, Xiangyang Xu, Liang Zhu. (2018) Cathode potential regulation in a coupled bioelectrode-anaerobic sludge system for effective dechlorination of 2,4-dichloronitrobenzene. BIORESOURCE TECHNOLOGY, 254 (180).
4. Ya-Nan Jiao, Hong Chen, Rui-Xia Gao, Yong-Guan Zhu, Christopher Rensing. (2017) Organic compounds stimulate horizontal transfer of antibiotic resistance genes in mixed wastewater treatment systems. CHEMOSPHERE, 184 (53).
5. Deyang Kong, Qing Xia, Guoqiang Liu, Qingguo Huang, Junhe Lu. (2013) Covalent bonding of chloroanilines to humic constituents: Pathways, kinetics, and stability. ENVIRONMENTAL POLLUTION, 180 (48).
6. Xiaofei Han,Jia Chen,Zhan Li,Kaijun Quan,Hongdeng Qiu. (2020-09-07) Magnetic solid-phase extraction of triazole fungicides based on magnetic porous carbon prepared by combustion combined with solvothermal method.. Analytica chimica acta, 1129 (85-97).
7. Peng Wang, Qiuliang Xu, Hua Zou, Ming Liu, Xiangjing Gao, Hong Ren, Junlin Wang, Yiyao Cao. (2024) Development and application of UPLC-Q-Orbitrap HRMS methods for the determination of eight metabolites of p-chloronitrobenzene in human urine. JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, 1244 (124254).

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