Allyl isocyanate - ≥98% , CAS No.1476-23-9

CAS: 1476-23-9 Cat. No.: A167384 분자식: C4H5NO 분자량: 83.09 Beilstein Registry Number: 506106 EC 번호: 629-197-7
주문 가능
GRADE & PURITY ≥98%
Synonyms
EN300-148061 | NSC 96964 | 1-Propene, 3-isocyanato- | WLN: OCN2U1 | STK503764 | AKOS005141683 | ?ALLYL ISOCYANATE | BRN 0506106 | 3-isocyanatoprop-1-ene | 2-propenyl isocyanate | BB 0260144 | ALLylisoCYANATE | InChI=1/C4H5NO/c1-2-3-5-4-6/h2H,1,3H | F81512
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
★
Size
USA
독일 (EU)*
Price
Qty
200mg
A167384-200mg
1 재고 있음
—
US$18.90
1g
A167384-1g
2 재고 있음
—
US$72.90
5g
A167384-5g
1 재고 있음
—
US$289.90
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

The rate constants for the gas phase reactions of ozone, OH radical and NO(3) radical with allyl isocyanate (AIC) were studied.

Specifications

동의어
EN300-148061 | NSC 96964 | 1-Propene, 3-isocyanato- | WLN: OCN2U1 | STK503764 | AKOS005141683 | ?ALLYL ISOCYANATE | BRN 0506106 | 3-isocyanatoprop-1-ene | 2-propenyl isocyanate | BB 0260144 | ALLylisoCYANATE | InChI=1/C4H5NO/c1-2-3-5-4-6/h2H,1,3H | F81512
사양 및 순도
≥98%
보관 조건
Store at 2-8°C,Argon charged
배송
Wet ice
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순수함
≥98%
이름과 식별자
Pubchem Sid
정식 스마일
C=CCN=C=O
IUPAC Name
3-isocyanatoprop-1-ene
InChIKey
HXBPYFMVGFDZFT-UHFFFAOYSA-N
INCHI
1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2
이성체 SMILES
C=CCN=C=O
WGK 독일
3
RTECS
NQ8175000
분자량
83.09
Beilstein
506106
Reaxy-Rn
506106
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506106&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 nitrogen compounds
분류Organonitrogen compounds
SubclassIsocyanates
Intermediate Tree Nodes Not available
Direct ParentIsocyanates
Alternative Parents Propargyl-type 1,3-dipolar organic compounds  Organopnictogen compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
설명This compound belongs to the class of organic compounds known as isocyanates. These are organic compounds containing the isocyanic acid tautomer, HN=C=O, of cyanic acid, HOC#N or its hydrocarbyl derivatives RN=C=O.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





인증서(CoA, COO, BSE/TSE 및 분석 차트)
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.

12 results found

Lot NumberCertificate Type날짜항목
G2315237Certificate of AnalysisApr 07, 2026 A167384
G2315226Certificate of AnalysisApr 07, 2026 A167384
I2518791Certificate of AnalysisMar 24, 2025 A167384
I2518792Certificate of AnalysisMar 24, 2025 A167384
B2527249Certificate of AnalysisFeb 17, 2025 A167384
B2527279Certificate of AnalysisFeb 17, 2025 A167384
C2506736Certificate of AnalysisFeb 17, 2025 A167384
C2506737Certificate of AnalysisFeb 17, 2025 A167384
L2121243Certificate of AnalysisOct 18, 2024 A167384
G2315214Certificate of AnalysisJul 07, 2023 A167384
J2229086Certificate of AnalysisOct 09, 2022 A167384
J2229095Certificate of AnalysisOct 09, 2022 A167384
화학 및 물리적 특성
용해성Hydrolyzes in water.
감도Moisture sensitive
굴절률1.417
발화점(°C)43 °C - closed cup
끓는점(°C)87-89℃
분자량83.090 g/mol
XLogP31.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass83.0371 Da
Monoisotopic Mass83.0371 Da
Topological Polar Surface Area29.400 Ų
Heavy Atom Count6
Formal Charge0
Complexity81.500
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
Citations of This Product
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