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n-Octyl Chloroformate - >97.0%(GC), high purity , CAS No.7452-59-7

COA

Grade & Purity:

≥97%(GC)

Cas Number: 7452-59-7
Molecular Weight: 192.68
Beilstein Registry Number: 3(3)27
MDL number: MFCD00000652
PubChem CID: 81956
PubChem SID: 504755568

In stock

Item Number

N158924

Grouped product items
SKU	Size	Availability	Price
N158924-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
N158924-5ml	5ml	2	$36.90
N158924-25ml	25ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$140.90

View related series

Acyl halide (157) Non heterocyclic block (8163)

Basic Description

Synonyms	Carbonochloridic acid, octyl ester \| starbld0016564 \| 1-Octyl chloroformate \| Octyl chloroformate, 97% \| octyl chlorocarboxylate \| octyl carbonochloridate \| MFCD00000652 \| InChI=1/C9H17ClO2/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3 \| EINECS 231-224-9 \| SCHEM
Specifications & Purity	≥97%(GC)
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic carbonic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic carbonic acids and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Organic carbonic acids and derivatives
Alternative Parents	Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Carbonic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as organic carbonic acids and derivatives. These are compounds comprising the organic carbonic acid or a derivative thereof.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504755568
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755568
IUPAC Name	octyl carbonochloridate
INCHI	InChI=1S/C9H17ClO2/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3
InChIKey	VFXVAXFIFHSGNR-UHFFFAOYSA-N
Smiles	CCCCCCCCOC(=O)Cl
Isomeric SMILES	CCCCCCCCOC(=O)Cl
WGK Germany	3
Molecular Weight	192.68
Beilstein	3(3)27
Reaxy-Rn	1759733
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759733&ln=

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.

5 results found

Lot Number	Certificate Type	Date	Item
K2320321	Certificate of Analysis	Nov 01, 2023	N158924
K2320333	Certificate of Analysis	Nov 01, 2023	N158924
B2515110	Certificate of Analysis	Nov 01, 2023	N158924
D2117359	Certificate of Analysis	Feb 08, 2023	N158924
D2117357	Certificate of Analysis	Feb 08, 2023	N158924

Chemical and Physical Properties

Sensitivity	Moisture sensitive.
Refractive Index	1.43
Flash Point(°F)	168.8 °F
Flash Point(°C)	76°C(lit.)
Boil Point(°C)	123°C/30mmHg(lit.)
Molecular Weight	192.680 g/mol
XLogP3	4.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	192.092 Da
Monoisotopic Mass	192.092 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	115.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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