3-Iodo-2-propynyl N-Butylcarbamate - ≥97% , CAS No.55406-53-6

CAS: 55406-53-6 Cat. No.: I107478 Molecular Weight: 281.09 EC Number: 259-627-5
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
IPBC | 3-iodoprop-2-ynyl N-butylcarbamate | 1-Iodoprop-1-yn-3-yl N-n-butylcarbamate | AKOS015905567 | Iodopropynyl butylcarbamate | EINECS 259-627-5 | GS-3240 | Carbamic acid, N-butyl-, 3-iodo-2-propyn-1-yl ester | 3-Iodo-2-propynyl N-butylcarbamate, 97%
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
I107478-5g
1

$34.90

$52.90
Save $18.00 (34.03%)
10g
I107478-10g
1

$52.90

$79.90
Save $27.00 (33.79%)
25g
I107478-25g
2

$100.90

$151.90
Save $51.00 (33.57%)
50g
I107478-50g
1

$181.90

$272.90
Save $91.00 (33.35%)
100g
I107478-100g
1

$251.90

$377.90
Save $126.00 (33.34%)
250g
I107478-250g
1

$566.90

$850.90
Save $284.00 (33.38%)
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
IPBC | 3-iodoprop-2-ynyl N-butylcarbamate | 1-Iodoprop-1-yn-3-yl N-n-butylcarbamate | AKOS015905567 | Iodopropynyl butylcarbamate | EINECS 259-627-5 | GS-3240 | Carbamic acid, N-butyl-, 3-iodo-2-propyn-1-yl ester | 3-Iodo-2-propynyl N-butylcarbamate, 97%
Specifications & Purity
≥97%
Biochemical and Physiological Mechanisms
Antifungal and anti-microbial agent.
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Purity
≥97%
Names and Identifiers
Pubchem Sid504753817
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504753817
Canonical SmilesCCCCNC(=O)OCC#CI
IUPAC Name3-iodoprop-2-ynyl N-butylcarbamate
InChIKeyWYVVKGNFXHOCQV-UHFFFAOYSA-N
INCHI1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)
Isomeric SMILES CCCCNC(=O)OCC#CI
WGK Germany 3
RTECS EZ0950000
UN Number 3077
Packing Group III
Molecular Weight 281.09
Reaxy-Rn 2248232
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2248232&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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboximidic acids and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentCarboximidic acids and derivatives
Alternative Parents Propargyl-type 1,3-dipolar organic compounds  Haloacetylenes and derivatives  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organoiodides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Haloacetylene or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as carboximidic acids and derivatives. These are compounds containing a carboximidic group, with the general formula R-C(=NR1)OR2.
External Descriptors carbamate ester - organoiodine compound - acetylenic compound - carbamate fungicide
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Aspergillus niger (16508 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trichoderma viride (1263 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aureobasidium pullulans (46 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Talaromyces funiculosus (619 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Chaetomium globosum (22 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Paecilomyces variotii (130 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus versicolor (452 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
Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 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.

16 results found

Lot NumberCertificate TypeDateItem
I2412459Certificate of AnalysisJun 11, 2026 I107478
I2412460Certificate of AnalysisJun 11, 2026 I107478
C2630074Certificate of AnalysisApr 06, 2026 I107478
J1824051Certificate of AnalysisFeb 05, 2026 I107478
A2431206Certificate of AnalysisOct 29, 2025 I107478
L2322019Certificate of AnalysisSep 19, 2025 I107478
A2629089Certificate of AnalysisDec 12, 2024 I107478
B2624213Certificate of AnalysisDec 12, 2024 I107478
L2406142Certificate of AnalysisDec 12, 2024 I107478
L2108376Certificate of AnalysisSep 20, 2023 I107478
L2108380Certificate of AnalysisSep 20, 2023 I107478
L2108371Certificate of AnalysisSep 20, 2023 I107478
L2108381Certificate of AnalysisSep 20, 2023 I107478
L2108382Certificate of AnalysisSep 20, 2023 I107478
L2109116Certificate of AnalysisSep 20, 2023 I107478
D2115029Certificate of AnalysisJan 13, 2023 I107478

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Chemical and Physical Properties
SolubilityChloroform (Slightly), Methanol (Slightly)
Melt Point(°C)64-68°C
Molecular Weight281.090 g/mol
XLogP32.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass280.991 Da
Monoisotopic Mass280.991 Da
Topological Polar Surface Area38.300 Ų
Heavy Atom Count12
Formal Charge0
Complexity192.000
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
Documents & Articles
Citations of This Product
References
1. Wan-Jun Long, Hai-Long Wu, Tong Wang, Ming-Yue Dong, Ru-Qin Yu.  (2020)  Interference-free analysis of multi-class preservatives in cosmetic products using alternating trilinear decomposition modeling of liquid chromatography diode array detection data.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2020.105847]
2. Haiyun Li, Yizhi Qiu, Tuo Yao, Yachun Ma, Huirong Zhang, Xiaolei Yang, Changning Li.  (2019)  Evaluation of seven chemical pesticides by mixed microbial culture (PCS-1): Degradation ability, microbial community, and Medicago sativa phytotoxicity.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:31843407] [10.1016/j.jhazmat.2019.121834]
3. Gege Bao, Lu He, Xiaofeng Zhang, Xi Yu, Jingpeng Li, Daochun Qin.  (2025)  Preparation of 3-Iodo-2-propargyl-butyl-carbamate-Loaded Microcapsules for Long-Term Mold Resistance in Bamboo.  Polymers,  17  (5): (679).  [PMID:40076171] [10.3390/polym17050679]
Solution Calculators
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