Dichlobenil Solution in Hexane - 100μg/mL in Hexane,Uncertainty 3% , CAS No.1194-65-6

CAS: 1194-65-6 Cat. No.: BWY396078 Molecular Weight: 172.01 EC Number: 214-787-5
AVAILABLE TO ORDER
GRADE & PURITY 100μg/mL in Hexane,Uncertainty 3%
Synonyms
Casaron | DU-Sprex | FT-0610598 | NCGC00094529-03 | Q-200961 | Dichlobenil 10 microg/mL in Cyclohexane | Dichlobenil 100 microg/mL in Acetonitrile | Fydumas (Salt/Mix) | Fyducit (Salt/Mix) | 2,6-Dichlorophenyl cyanide | Dyclomec | H 1313 | NCGC00094529-01
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1.2ml
BWY396078-1.2ml
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$80.90

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Why this grade

100μg/mL in Hexane,Uncertainty 3% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice 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 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Casaron | DU-Sprex | FT-0610598 | NCGC00094529-03 | Q-200961 | Dichlobenil 10 microg/mL in Cyclohexane | Dichlobenil 100 microg/mL in Acetonitrile | Fydumas (Salt/Mix) | Fyducit (Salt/Mix) | 2, 6-Dichlorophenyl cyanide | Dyclomec | H 1313 | NCGC00094529-01
Specifications & Purity
100μg/mL in Hexane,Uncertainty 3%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical SmilesC1=CC(=C(C(=C1)Cl)C#N)Cl
IUPAC Name2,6-dichlorobenzonitrile
InChIKeyYOYAIZYFCNQIRF-UHFFFAOYSA-N
INCHI1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
Isomeric SMILES C1=CC(=C(C(=C1)Cl)C#N)Cl
WGK Germany 2
UN Number 3082
Packing Group III
Molecular Weight 172.01
Reaxy-Rn 1909167
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1909167&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassHalobenzenes
Intermediate Tree Nodes Chlorobenzenes
Direct ParentDichlorobenzenes
Alternative Parents Benzonitriles  Aryl chlorides  Nitriles  Organopnictogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 1,3-dichlorobenzene - Benzonitrile - Aryl halide - Aryl chloride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
DescriptionThis 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 Nitrile herbicides
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Pythium aphanidermatum (174 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
Melt Point(°C)143-146°C
Molecular Weight172.010 g/mol
XLogP32.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass170.964 Da
Monoisotopic Mass170.964 Da
Topological Polar Surface Area23.800 Ų
Heavy Atom Count10
Formal Charge0
Complexity150.000
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 Count1
Citations of This Product
References
1. Haoyun Hu, Wenjuan Feng, Rui Shi, Hong Pan, Cheng Liu, Guihua Ruan, Yipeng Huang.  (2023)  Magnetic porous carbon material derived from imine-linked covalent organic frameworks for magnetic solid phase extraction of trace chlorine-containing herbicides in soil.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:37976904] [10.1016/j.chroma.2023.464497]
2. Wen Huang, Tianxiong Ju, Ruipeng Li, Yajun Duan, Yanan Duan, Junji Wei, Lei Zhu.  (2022)  High-κ and High-Temperature Dipolar Glass Polymers Based on Sulfonylated and Cyanolated Poly(Arylene Ether)s for Capacitive Energy Storage.  Advanced Electronic Materials,  (1): (2200414).  [PMID:] [10.1002/aelm.202200414]
3. Hong Pan, Zushan Gan, Haoyun Hu, Cheng Liu, Yipeng Huang, Guihua Ruan.  (2022)  Magnetic phenolic resin core-shell structure derived carbon microspheres for ultrafast magnetic solid-phase extraction of triazine herbicides.  JOURNAL OF SEPARATION SCIENCE,  45  (14): (2687-2698).  [PMID:35579607] [10.1002/jssc.202200283]
4. Qingju Liu, Ping Han, Hui Wang, Wenwen Gong, Xiaoyuan Feng.  (2019)  Antibody-free colorimetric detection of chlorothalonil in cucumber via the inhibition of an enzyme-triggered reaction.  RSC Advances,  (18): (9893-9898).  [PMID:35520916] [10.1039/C9RA00291J]
5. Fuyou Du, Lingshun Sun, Qiulian Zen, Wei Tan, Zhenfang Cheng, Guihua Ruan, Jianping Li.  (2019)  A highly sensitive and selective “on-off-on” fluorescent sensor based on nitrogen doped graphene quantum dots for the detection of Hg2+ and paraquat.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2019.02.109]
6. Shiliang Wei, Kun Jia, Hongguo Shou, Xuefei Zhou, Pan Wang, Xiaobo Liu.  (2017)  CTAB induced emission from water soluble polyarylene ether nitrile carboxylate and selective sensing of Fe (III) ions.  CHEMICAL PHYSICS LETTERS,      [PMID:] [10.1016/j.cplett.2017.04.007]
7. Nafeesa Mushtaq, Guofei Chen, Lala Rukh Sidra, Yang Liu, Xingzhong Fang.  (2016)  Synthesis and crosslinking study of isomeric poly(thioether ether imide)s containing pendant nitrile and terminal phthalonitrile groups.  Polymer Chemistry,  (48): (7427-7435).  [PMID:] [10.1039/C6PY01705C]
8. Jun Hou, Yanbao Zhao, Lei Sun, Xueyan Zou.  (2023)  Enzyme/GSH/pH-responsive hyaluronic acid grafted porous silica nanocarriers bearing Ag2S QDs for fluorescence imaging and combined therapy.  CARBOHYDRATE POLYMERS,      [PMID:36737216] [10.1016/j.carbpol.2023.120547]
9. Ziteng Guo, Bo Zhao, Ziyi Wang, Kang Xie, Weicheng Zhang, Zhihua Li.  (2026)  Incorporation of Multifunctional Polar Groups into Thermoset Polyimide Films for Heat-Resistant Adhesive Applications.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c04423]
Solution Calculators
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