2-Heptyl Chloroformate

CAT: 1266-JH918416Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

290819-03-3

Stability

Hygroscopic, Moisture Sensitive

Molecular Formula

C8H15ClO2

Molecular Weight

178.66

Physical Properties

Colorless to Pale Yellow oily liquid

Density

1.016±0.06 g/cm3 (Predicted)

Chemical Information

2-Heptyl chloroformate

CAS Number	290819-03-3
PubChem CID	21487843
IUPAC Name	heptan-2-yl carbonochloridate
Molecular Formula	C8H15ClO2
Molecular Weight	178.65
XLogP	3.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	11
Formal Charge	0
Complexity	115

SMILES

CCCCCC(C)OC(=O)Cl

InChI

InChI=1S/C8H15ClO2/c1-3-4-5-6-7(2)11-8(9)10/h7H,3-6H2,1-2H3

InChIKey

NAPYPXWLUOEKEO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 290819-03-3

CID: 21487843

Formula: C8H15ClO2

MW: 178.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.65
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	178.0760574
Monoisotopic Mass	178.0760574
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	115
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
JH356689	Heptyl butanoate
JH915841	HEPTYL CYANIDE
JH920391	2,5-Dioxo-1-pyrrolidinyl Chloroformate
JH919432	Diisopropyl Heptyl Phosphine Oxide
JH570329	Bicyclo[2.2.1]heptan-2-amine, (2S) -
JH917503	Bicyclo[2.2.1]hepta-2,5-diene, 2-bromo-
JH464246	Bicyclo[2.2.1]hept-2-ene, dicyanate
JH913819	5-hexylbicyclo[2.2.1]hept-2-ene
JH916604	4'- (bicyclo[2.2.1]heptan-2-yl) -[1,1'-biphenyl]-2-amine
JH525261	7-[ (2-methylpropan-2-yl) oxy]bicyclo[2.2.1]hepta-2,5-diene

Catalog	Name
QLA81903	2-Heptyl chloroformate
TRC-H295730-100MG	Heptyl chloroformate
AR-D06166-01	Dabigatran Etexilate Impurity 10 (2-Heptyl Chloroformate)
HCA91341-01	2-Phenylethyl chloroformate
HAA69350	2-Naphthyl Chloroformate
628-12-6	2-METHOXYETHYL CHLOROFORMATE
abx183169-01	2-Chloroethyl chloroformate
OR1003622-01	2-Methoxyphenyl chloroformate
OR1078797-01	2-Ethylhexyl Chloroformate
TRC-F591530-5G	2-Fluoroethyl Chloroformate