Octyl chloroformate - CAS 7452-59-7

Name: Octyl chloroformate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB035103
Product Name:	Octyl chloroformate
CAS:	7452-59-7
Synonyms:	octyl carbonochloridate

Technical Data

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Computed Properties

IUPAC Name:	octyl carbonochloridate
Description:	Octyl chloroformate (CAS# 7452-59-7) is a chemical reagent used in the synthesis of surfactants derived from N-alkoxycarbonyl amino acids. Also used n the preparation of piperazinyl-glutamate-pyridines used as orally bioavailable P2Y12 antagonists in platelet aggregation.
Molecular Weight:	192.68
Molecular Formula:	C9H17ClO2
Canonical SMILES:	CCCCCCCCOC(=O)Cl
InChI:	InChI=1S/C9H17ClO2/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3
InChI Key:	VFXVAXFIFHSGNR-UHFFFAOYSA-N
Boiling Point:	90-91 °C (11 mmHg)
Density:	0.984 g/cm³
MDL:	MFCD00000652
LogP:	3.72230

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[59855-96-8]C6H7NO3S
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[104496-91-5]C7H9N3OS
2-(Pyridin-2-ylthio)acetohydrazide

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GHS Hazard Statement:	H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-112441923-A	Method for synthesizing n-octyl chloroformate by phosgene	20201208
KR-20210092131-A	Gas-generating polymer micells for local fat reduction	20200115
WO-2021145586-A1	Gas-generating micelle for reducing localized fat	20200115
CN-112778398-A	Liver-targeting drug, pharmaceutical composition thereof and application thereof	20191107
WO-2021088762-A1	Liver targeting drug, pharmaceutical composition and use thereof	20191107

Complexity:	115
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.0917075
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.0917075
Rotatable Bond Count:	8
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5