3-Chloropropionitrile solution - 1000μg/ml,in Purge and Trap Methanol , CAS No.542-76-7

CAS: 542-76-7 Cat. No.: C141146 Molecular Weight: 89.52 EC Number: 208-827-0
AVAILABLE TO ORDER
GRADE & PURITY 1000μg/ml,in Purge and Trap Methanol
Synonyms
3-Chloropropionitrile|3-Chloropropanenitrile|542-76-7|3-Chloropropiononitrile|Propanenitrile, 3-chloro-|1-Chloro-2-cyanoethane|3-CHLOROPROPANONITRILE|Propionitrile, 3-chloro-|3-Chlorpropannitril|beta-Chloropropionitrile|USAF A-8798|RCRA waste number P027|
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads,FedEx DG Service
Size
Status
Price
Qty
1ml
C141146-1ml
1

$172.90

$224.90
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Why this grade

1000μg/ml,in Purge and Trap Methanol for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads,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.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
3-Chloropropionitrile | 3-Chloropropanenitrile | 542-76-7 | 3-Chloropropiononitrile | Propanenitrile, 3-chloro- | 1-Chloro-2-cyanoethane | 3-CHLOROPROPANONITRILE | Propionitrile, 3-chloro- | 3-Chlorpropannitril | beta-Chloropropionitrile | USAF A-8798 | RCRA waste number P027 |
Specifications & Purity
1000μg/ml, in Purge and Trap Methanol
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads, FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Pubchem Sid528758753
Canonical SmilesC(CCl)C#N
IUPAC Name3-chloropropanenitrile
InChIKeyGNHMRTZZNHZDDM-UHFFFAOYSA-N
INCHI1S/C3H4ClN/c4-2-1-3-5/h1-2H2
Isomeric SMILES C(CCl)C#N
UN Number 3276
Packing Group I
Molecular Weight 89.52
Reaxy-Rn 1098454
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098454&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.

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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
SuperclassOrganic nitrogen compounds
ClassOrganonitrogen compounds
SubclassOrganic cyanides
Intermediate Tree Nodes Not available
Direct ParentNitriles
Alternative Parents Organopnictogen compounds  Organochlorides  Hydrocarbon derivatives  Alkyl chlorides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Cruzipain (33337 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ppard Peroxisome proliferator-activated receptor delta (358 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.

1 results found

Lot NumberCertificate TypeDateItem
G2203145Certificate of AnalysisJun 14, 2022 C141146
Chemical and Physical Properties
Refractive Index1.44
Flash Point(°C)83°C
Boil Point(°C)176 °C
Molecular Weight89.520 g/mol
XLogP30.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass89.0032 Da
Monoisotopic Mass89.0032 Da
Topological Polar Surface Area23.800 Ų
Heavy Atom Count5
Formal Charge0
Complexity51.200
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
Solution Calculators
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