1,2,3-Trichlorobenzene - analytical standard, ≥99.8%(GC) , CAS No.87-61-6

CAS: 87-61-6 Cat. No.: T104657 分子式: C6H3Cl3 分子量: 181.45 Beilstein Registry Number: 956882 EC番号: 201-757-1 PubChem CID: 6895
注文可能
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥99.8%(GC)
Synonyms
1,2,3-Trichlorobenzene, analytical standard | HMS3039D12 | NCGC00259662-01 | 1,2,3-Trichlorobenzene 100 microg/mL in Isooctane | NCGC00091850-04 | FT-0606226 | FT-0606225 | MFCD00000537 | 1,2-dichlorochlorobenzene | Q1917053 | DTXSID8026193 | NSC 43432 |
Storage
Room temperature
Shipped In
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Size
USA
ドイツ (EU)*
Price
Qty
1g
T104657-1g
1 在庫あり
—

$47.90

$56.90
保存 $9.00 (15.82%)
5g
T104657-5g
2 在庫あり
—

$216.90

$252.90
保存 $36.00 (14.23%)
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Why this grade

analytical standard, ≥99.8%(GC) 分析用標準物質 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 20 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

同義語
1,2,3-Trichlorobenzene, analytical standard | HMS3039D12 | NCGC00259662-01 | 1,2,3-Trichlorobenzene 100 microg/mL in Isooctane | NCGC00091850-04 | FT-0606226 | FT-0606225 | MFCD00000537 | 1,2-dichlorochlorobenzene | Q1917053 | DTXSID8026193 | NSC 43432 |
仕様と純度
analytical standard, ≥99.8%(GC)
保管条件
Room temperature
入荷
FedEx DG Service
等級
分析用標準物質
純度
≥99.8%(GC)
名前と識別子
パブケム・シド528753587
カノニカル・スマイルC1=CC(=C(C(=C1)Cl)Cl)Cl
IUPAC Name1,2,3-trichlorobenzene
InChIKeyRELMFMZEBKVZJC-UHFFFAOYSA-N
INCHI1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H
異性体SMILES C1=CC(=C(C(=C1)Cl)Cl)Cl
WGKドイツ 3
RTECS DC2095000
PubChem CID 6895
UN番号 2810
包装グループ I
分子量 181.45
Beilstein 956882

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
分類Benzene and substituted derivatives
SubclassHalobenzenes
Intermediate Tree Nodes Not available
Direct ParentChlorobenzenes
Alternative Parents Aryl chlorides  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
説明This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors a small molecule
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(人間)
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
関連ターゲット(非人間)
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
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.

3 results found

Lot NumberCertificate Type日付商品
C2004131Certificate of AnalysisJun 12, 2025 T104657
G2311282Certificate of AnalysisJun 19, 2023 T104657
G2311291Certificate of AnalysisJun 19, 2023 T104657
化学的性質と物理的性質
屈折率1.5776
引火点(°F)260.6 °F
引火点(°C)113℃
沸点(°C)221°C
融点(°C)53°C
分子量181.400 g/mol
XLogP34.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass179.93 Da
Monoisotopic Mass179.93 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity84.300
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
参考文献
1. Zeng Zhihao, Li Xiangping, Wang Haiwei, Xie Changsheng.  (2023)  Optical patterning fullerene nanostructures with high purity and high surface quality.  APL Photonics,  8  (7):   [PMID:] [10.1063/5.0152366]
2. Boying Yue, Xiyue Wang, Lili Lian, Yanyan Wang, Wenxiu Gao, Hao Zhang, Jinfeng Zhao, Dawei Lou.  (2023)  A fiber-packed needle-type extraction device with ionic liquid-based molecularly imprinted polymer as coating for extraction of chlorobenzenes in water samples.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.108592]
3. Shijin Dai, Libing Liu, Hongping He, Bo Yang, Deli Wu, Youcai Zhao, Dongjie Niu.  (2022)  Highly-efficient molten NaOH-KOH for organochlorine destruction: Performance and mechanism.  ENVIRONMENTAL RESEARCH,      [PMID:36400224] [10.1016/j.envres.2022.114815]
4. Jue Wang, Jianhua Xiong, Qilin Feng, Zhou Wan, Zhenqi Zhou, Bing Xiao, Jiaming Zhang, Outhay Singdala.  (2022)  Intimately coupled photocatalysis and functional bacterial system enhance degradation of 1,2,3- and 1,3,5-trichlorobenzene.  JOURNAL OF ENVIRONMENTAL MANAGEMENT,      [PMID:35772268] [10.1016/j.jenvman.2022.115595]
5. Jiali Li, Huihui Li, Zhongjie Ren, Shouke Yan, Xiaoli Sun.  (2021)  Differentiation of Electric Response in Highly Oriented Regioregular Poly(3-hexylthiophene) under Anisotropic Strain.  ACS Applied Materials & Interfaces,      [PMID:33412844] [10.1021/acsami.0c19199]
6. Yinhui Yang, Zhengfeng Chang, Xiaohong Yang, Meiling Qi, Jinliang Wang.  (2018)  Selectivity of hexaphenylbenzene-based hydrocarbon stationary phase with propeller-like conformation for aromatic and aliphatic isomers.  ANALYTICA CHIMICA ACTA,      [PMID:29534806] [10.1016/j.aca.2018.01.048]
7. Cao Shan, Li Shouhai, Li Mei, Xu Lina, Ding Haiyang, Xia Jianling, Zhang Meng, Huang Kun.  (2017)  A thermal self-healing polyurethane thermoset based on phenolic urethane.  POLYMER JOURNAL,  49  (11): (775-781).  [PMID:] [10.1038/pj.2017.48]
8. Jing Gao, Yun Wang, Yingjie Du, Liya Zhou, Ying He, Li Ma, Luyan Yin, Weixi Kong, Yanjun Jiang.  (2017)  Construction of biocatalytic colloidosome using lipase-containing dendritic mesoporous silica nanospheres for enhanced enzyme catalysis.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2017.02.012]
9. Yueyue Shen, Shilin Zhao, Yue Li, Qian Liu, Chongdi Ma, Hui Mao, Yang Liao, Jun Ma.  (2017)  A feasible approach to dispose of soil washing wastes: adsorptive removal of chlorobenzene compounds in aqueous solutions using humic acid modified with monoolein (HA–M).  RSC Advances,  7  (16): (9662-9668).  [PMID:] [10.1039/C6RA17949E]
10. Xiaohong Yang, Changxia Li, Meiling Qi, Liangti Qu.  (2016)  Graphene-ZIF8 composite material as stationary phase for high-resolution gas chromatographic separations of aliphatic and aromatic isomers.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:27423773] [10.1016/j.chroma.2016.07.029]
11. Yunzhong Zheng, Meiling Qi, Ruonong Fu.  (2016)  Graphitic carbon nitride as high-resolution stationary phase for gas chromatographic separations.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:27266332] [10.1016/j.chroma.2016.05.073]
12. D.D. Liu, N.S. Yu, D.P. Liu, Y.Y. He, R. Liu, Q.J. Li, B. Liu, B.B. Liu.  (2015)  The effect of trichlorobenzene solvent geometry on the morphologies of C60 nano/microcrystals produced from solution.  MATERIALS RESEARCH BULLETIN,      [PMID:] [10.1016/j.materresbull.2015.07.034]
13. Dedi Liu, Wen Cui, Naisen Yu, Ran Liu, Dongping Liu, Yongbin Xu, Chunshan Quan, Bo Liu, Quanjun Li, Bingbing Liu.  (2014)  The control of the morphologies, structures and photoluminescence properties of C70 nano/microcrystals with different trichlorobenzene isomers.  CRYSTENGCOMM,  16  (16): (3284-3288).  [PMID:] [10.1039/C3CE42201A]
14. Qin Yu, Yan Gao, Haiwen Mao, Chao Yin, Zhiteng Li, Haoguan Gui, Tao Zhang.  (2025)  Nanofibrous, hierarchically porous aerogels templated from wide-adjustable gel emulsions stabilized by an ionomeric organogelator for removing oils from oil-water mixtures.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.136365]
15. Xue Xiong, Meiling Qi.  (2020)  A novel column fabrication approach for capillary gas chromatography via a cross-linked organogel network with high stability and inertness.  NEW JOURNAL OF CHEMISTRY,  44  (25): (10621-10627).  [PMID:] [10.1039/D0NJ02185G]
16. Tianhan Zhang, Chengyi Xie, Yong Wu, Wenqing Gao, Chenlu Wang, Keqi Tang, Jiancheng Yu.  (2024)  Discontinuous Atmospheric Pressure Interface in-Trap Single Photon Ionization Ion Trap Mass Spectrometry (DAPI in-Trap SPI ITMS).  ANALYTICAL LETTERS,      [PMID:] [10.1080/00032719.2024.2348086]
17. Shijin Dai, Yilin Zheng, Youcai Zhao, Yu Chen, Dongjie Niu.  (2019)  Molten hydroxide for detoxification of chlorine-containing waste: Unraveling chlorine retention efficiency and chlorine salt enrichment.  Journal of Environmental Sciences,      [PMID:31133264] [10.1016/j.jes.2019.03.007]
18. Xue Xiong, Meiling Qi.  (2018)  Hexagonal boron nitride stationary phase for gas chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:30100014] [10.1016/j.chroma.2018.07.008]
19. Kai-Jie Hu, Wen-Hui Gu, Yan Zhou, Jing Chen.  (2025)  A stable hydrogen-bonded organic framework (HOF) for selective fluorescence sensing of neomycin sulphate.  INORGANICA CHIMICA ACTA,      [PMID:] [10.1016/j.ica.2025.122709]
20. Xinyue Chen, Wei Feng, Zhengyue Liang, Zichao Guo, Liping Chen, Wanghua Chen.  (2025)  Why 1,3,5-Trichloro-2,4-dinitrobenzene (TCDNB) is more soluble in nitric acid than in sulfuric acid: Thermodynamic analysis and molecular dynamics simulation.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2025.129185]
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