3,3′-Dichlorobenzidine dihydrochloride - analytical standard , CAS No.612-83-9

CAS: 612-83-9 Cat. No.: D115496 Molecular Weight: 326.05 EC Number: 210-323-0 PubChem CID: 11933
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
3,3'-DICHLOROBENZIDINE DIHYDROCHLORIDE|612-83-9|3,3'-Dichlorobenzidine 2HCl|3,3'-Dichlorobenzidine.2HCl|Benzidine, 3,3'-dichloro-, dihydrochloride|DTXSID1020433|(1,1'-Biphenyl)-4,4'-diamine, 3,3'-dichloro-, dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,
Storage
Room temperature
Shipped In
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Size
Status
Price
Qty
100mg
D115496-100mg
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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships FedEx DG Service 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.

Overview

Industrial carcinogen that induces liver and bladder tumors in laboratory animals. An important intermediate in the production of diarylide azo pigments and a known animal carcinogen and environmental pollutant.

Specifications

Synonyms
3, 3'-DICHLOROBENZIDINE DIHYDROCHLORIDE | 612-83-9 | 3, 3'-Dichlorobenzidine 2HCl | 3, 3'-Dichlorobenzidine.2HCl | Benzidine, 3, 3'-dichloro-, dihydrochloride | DTXSID1020433 | (1, 1'-Biphenyl)-4, 4'-diamine, 3, 3'-dichloro-, dihydrochloride | [1, 1'-Biphenyl]-4, 4'-diamine, 3,
Specifications & Purity
analytical standard
Biochemical and Physiological Mechanisms
工业致癌物质,诱导实验室动物的肝瘤和膀胱瘤。
Storage
Room temperature
Shipped In
FedEx DG Service
Grade
Analytical standard
Names and Identifiers
Canonical SmilesC1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl
IUPAC Name4-(4-amino-3-chlorophenyl)-2-chloroaniline;dihydrochloride
InChIKeyBXAONUZFBUNTQR-UHFFFAOYSA-N
INCHI1S/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H
Isomeric SMILES C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl
WGK Germany 3
PubChem CID 11933
UN Number 3077
Packing Group III
Molecular Weight 326.05

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

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBiphenyls and derivatives
Intermediate Tree Nodes Benzidines
Direct Parent3,3'-disubstituted benzidines
Alternative Parents Polychlorinated biphenyls  Aniline and substituted anilines  Chlorobenzenes  Aryl chlorides  Primary amines  Organopnictogen compounds  Organochlorides  Hydrochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 3,3'-disubstituted benzidine - Polychlorinated biphenyl - Chlorinated biphenyl - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Amine - Hydrochloride - Primary amine - Organopnictogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 3,3'-disubstituted benzidines. These are organic compounds containing a benzidine skeleton, which is substituted only at the 3- and 3'-positions.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCL8 Tchem Interleukin-8 (642 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AHR Tclin Aryl hydrocarbon receptor (1071 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilitySoluble in 4N ammonium hydroxide in methanol (50 mg/ml), water (slightly), and alcohol (readily).
Molecular Weight326.000 g/mol
XLogP3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass325.973 Da
Monoisotopic Mass323.975 Da
Topological Polar Surface Area52.000 Ų
Heavy Atom Count18
Formal Charge0
Complexity213.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count3
Solution Calculators
Reviews

Customer Reviews

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