Basic information
- CAS
15721-02-5- Standard SMILES
Nc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl- InChIKey
UXOXUHMFQZEAFR-UHFFFAOYSA-N- Molecular formula
- C12H8Cl4N2
- Average molar mass
- 322 g/mol
- Monoisotopic mass
- 319.944159
Overview
2,2',5,5'-Tetrachlorobenzidine is a member of biphenyls and a dichlorobenzene.
Names & identifiers
- Preferred name
- 2,2',5,5'-Tetrachlorobenzidine
- IUPAC
- 4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline
- English name
- 2,2',5,5'-Tetrachlorobenzidine
- Molecular formula
- C12H8Cl4N2
- Molecular weight
- 322.02
Names & synonyms
2,2',5,5'-TETRACHLOROBENZIDINE15721-02-53,3',6,6'-TetrachlorobenzidineDTXSID7021314Benzidine, 2,2',5,5'-tetrachloro-[1,1'-Biphenyl]-4,4'-diamine, 2,2',5,5'-tetrachloro-ICS5PD3141(1,1'-Biphenyl)-4,4'-diamine, 2,2',5,5'-tetrachloro-DTXCID6013142,2'5,5'-TCBRefChem:440016239-815-3
Show more names
TCBPK3OIP3PKM1 active human2,2',5,5'-Tetrachlor-Tetrachlorobenzidine2,2’,5,5’-tetrachloro-benzidin3,3’,6,6’-tetrachlorobenzidine
2,2,5,5-TetrachlorobenzidineTetrachlorobenzidine2,2',5,5'-Tetrachloro-[1,1'-biphenyl]-4,4'-diamine4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroanilineMFCD000439184,4'-Diamino-2,2',5,5'-tetrachlorobiphenyl2,2',5,5'-Tetrachloro-4,4'-diaminodiphenylUXOXUHMFQZEAFR-UHFFFAOYSA-
Database identifiers
- CAS
15721-02-5- PubChem CID
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section164.9 Ų [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID7021314]
Physicochemical properties
- Melting point
- 135 · 135-140 °C(lit.)
- Boiling point
- 477.67 °C · 477.67°C (rough estimate)
- Density
- 1.5309 · 1.5309 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- -70 °C · -70°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 1.58 · 1.58±0.13(Predicted)
- color
- Light yellow to Yellow to Orange
- biological source
- human
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxicology
Carcinogen Classification
2,2',5,5'-Tetrachlorobenzidine
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 27: (1982) Some Aromatic Amines, Anthraquinones and Nitroso Compounds, and Inorganic Fluorides Used in Drinking-water and Dental Preparations
1987
1987
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DD1751000
- hs_code
- 2921.59.8090
- risk_code
- 61
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 53-45
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-4,4'-diamine, 2,2',5,5'-tetrachloro-: ACTIVE
Applications
UsesPKM1active human has been used in:cell-based kinase assay to study the ability of a compound to inhibit the kinase activity of PKM1. oxidative stress experiments on PKM2.Co-immunoprecipitation (Co-IP) to determine pyruvate kinase M2 (PKM2) as a novel direct binding partner of phosphoserine aminotransferase 1 (PSAT1).
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
南通润丰石油化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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