1H-Benzotriazole - ≥99% , CAS No.95-14-7

CAS: 95-14-7 Cat. No.: B101002 Molecular Weight: 119.12 Beilstein Registry Number: 112133 EC Number: 202-394-1
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
STL281967 | MFCD00005699 | Tox21_302934 | Tox21_201501 | STR01561 | BDBM50234613 | HY-Y0688 | DTXCID00147 | 1,2,3-Benzotriazole
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
100g
B101002-100g
4

$13.90

$19.90
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500g
B101002-500g
2
$39.90
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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 140 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
STL281967 | MFCD00005699 | Tox21_302934 | Tox21_201501 | STR01561 | BDBM50234613 | HY-Y0688 | DTXCID00147 | 1, 2, 3-Benzotriazole
Specifications & Purity
≥99%
Storage
Room temperature
Shipped In
Normal
Purity
≥99%
Names and Identifiers
Pubchem Sid488180338
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180338
Canonical SmilesC1=CC2=NNN=C2C=C1
IUPAC Name2H-benzotriazole
InChIKeyQRUDEWIWKLJBPS-UHFFFAOYSA-N
INCHI1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
Isomeric SMILES C1=CC2=NNN=C2C=C1
WGK Germany 1
RTECS DM1225000
Molecular Weight 119.12
Beilstein 112133
Reaxy-Rn 606580
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606580&ln=

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
SuperclassOrganoheterocyclic compounds
ClassBenzotriazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzotriazoles
Alternative Parents Benzenoids  Triazoles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzotriazole - Benzenoid - Heteroaromatic compound - 1,2,3-triazole - Triazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms).
External Descriptors benzotriazoles
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RY12 Tclin Purinergic receptor P2Y12 (2369 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCL8 Tchem Interleukin-8 (642 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRKAA2 Tchem AMP-activated protein kinase, alpha-2 subunit (1328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
SLC9A1 Sodium/hydrogen exchanger 1 (3 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nqo1 NAD(P)H dehydrogenase [quinone] 1 (1058 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:

Find and download the COA for your product by matching the lot number on the packaging.

53 results found

Lot NumberCertificate TypeDateItem
F2609303Certificate of AnalysisMay 28, 2026 B101002
F2609353Certificate of AnalysisMay 28, 2026 B101002
F2609355Certificate of AnalysisMay 28, 2026 B101002
D2609142Certificate of AnalysisMar 20, 2026 B101002
D2601329Certificate of AnalysisMar 20, 2026 B101002
D2609143Certificate of AnalysisMar 20, 2026 B101002
A2613353Certificate of AnalysisDec 30, 2025 B101002
A2613287Certificate of AnalysisDec 30, 2025 B101002
A2613288Certificate of AnalysisDec 30, 2025 B101002
K2527333Certificate of AnalysisNov 08, 2025 B101002
K2527332Certificate of AnalysisNov 08, 2025 B101002
H2527192Certificate of AnalysisAug 18, 2025 B101002
H2527230Certificate of AnalysisAug 18, 2025 B101002
H2527231Certificate of AnalysisAug 18, 2025 B101002
D2524108Certificate of AnalysisApr 11, 2025 B101002
D2524110Certificate of AnalysisApr 11, 2025 B101002
D2524193Certificate of AnalysisMar 04, 2025 B101002
A2521262Certificate of AnalysisJan 09, 2025 B101002
A2521195Certificate of AnalysisJan 09, 2025 B101002
A2521120Certificate of AnalysisJan 09, 2025 B101002
K2428245Certificate of AnalysisNov 13, 2024 B101002
K2428243Certificate of AnalysisNov 13, 2024 B101002
K2428246Certificate of AnalysisNov 13, 2024 B101002
K2428247Certificate of AnalysisNov 13, 2024 B101002
J2412398Certificate of AnalysisSep 25, 2024 B101002
J2412251Certificate of AnalysisSep 25, 2024 B101002
J2412399Certificate of AnalysisSep 25, 2024 B101002
G2418452Certificate of AnalysisJul 05, 2024 B101002
G2418454Certificate of AnalysisJul 05, 2024 B101002
G2418455Certificate of AnalysisJul 05, 2024 B101002
F2420042Certificate of AnalysisMar 26, 2024 B101002
D2408154Certificate of AnalysisMar 26, 2024 B101002
D2408153Certificate of AnalysisMar 26, 2024 B101002
D2408135Certificate of AnalysisMar 26, 2024 B101002
A2419137Certificate of AnalysisJan 11, 2024 B101002
A2419136Certificate of AnalysisJan 11, 2024 B101002
A2419138Certificate of AnalysisJan 11, 2024 B101002
A2419160Certificate of AnalysisJan 11, 2024 B101002
A2419161Certificate of AnalysisJan 11, 2024 B101002
B2311583Certificate of AnalysisNov 01, 2022 B101002
B2311582Certificate of AnalysisNov 01, 2022 B101002
B2311700Certificate of AnalysisNov 01, 2022 B101002
E2324081Certificate of AnalysisJul 23, 2022 B101002
H2213048Certificate of AnalysisJul 23, 2022 B101002
H2213047Certificate of AnalysisJul 23, 2022 B101002
H2213046Certificate of AnalysisJul 23, 2022 B101002
G2208123Certificate of AnalysisJan 17, 2022 B101002
B2225649Certificate of AnalysisJan 17, 2022 B101002
B2225638Certificate of AnalysisJan 17, 2022 B101002
B2225635Certificate of AnalysisJan 17, 2022 B101002
F2130058Certificate of AnalysisMay 21, 2021 B101002
F2130059Certificate of AnalysisMay 21, 2021 B101002
F2130061Certificate of AnalysisMay 21, 2021 B101002

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Chemical and Physical Properties
SolubilitySoluble in water, benzene, toluene, chloroform, ethanol and N,N-dimethylformamide.
SensitivityLight sensitive.
Flash Point(°F)338℉
Flash Point(°C)170℃
Boil Point(°C)204°C
Melt Point(°C)98.5°C
Molecular Weight119.120 g/mol
XLogP31.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass119.048 Da
Monoisotopic Mass119.048 Da
Topological Polar Surface Area41.600 Ų
Heavy Atom Count9
Formal Charge0
Complexity92.500
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
Documents & Articles
Why Copper Develops Local Pinholes in Water Systems: The Film-Forming Protection Mechanism of Benzotriazole (BTA), Key Variables, and a Selection Guide (Tables 1–3)
Understanding Triazoles: Structural Features, Classification Logic, Typical Roles, Research Selection, and Product Navigation (Tables 1–4)
Adding a Temperature-Triggered Switch to NCO: How Blocked Isocyanates Affect the Storage, Curing, and Film Performance of 1K Baking Coatings
Fluorocarbon Resin Coating Formulation Design: Resin Selection, Supporting Systems, and Key Application Control Points
Failure Mechanisms, Application Limitations, and Systematic Improvement Directions for Polyester Coatings
Waterborne Resin Application Guide: Formulation Synergy, Troubleshooting, and Technology Development Trends
Diagnosis of Coating Performance Issues and Selection of Resin Modification Routes
How to Select Thickeners for Strongly Acidic Cleaning Systems: Comparison of Thickening Mechanisms and Application Considerations for Fatty Amine Ethoxylates
More Than a pH Adjuster: Mechanisms, Selection Logic, and Alternative Acid Source Analysis of Citric Acid in Home-Care Cleaning
Sodium Metasilicate in Cleaning Applications: Hydration-Form Differences, Mechanisms of Action, and Selection Logic
Citations of This Product
References
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