CAS No.6092-54-2,HEXYL CHLOROFORMATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6092-54-2
Name:	HEXYL CHLOROFORMATE
Article Data:	16

Formula:	C₇H₁₃ClO₂
Molecular Weight:	164.632
Synonyms:	Formicacid, chloro-, hexyl ester (7CI,8CI);Hexyl alcohol, chloroformate (6CI);Chloroformic acid n-hexyl ester;Hexyl chlorocarbonate;Hexyl chloroformate;Hexyloxycarbonyl chloride;n-Hexyl chloroformate;
EINECS:	228-036-4
Density:	1.035g/cm³
Boiling Point:	187.2 °C at 760 mmHg
Flash Point:	56.3 °C
Appearance:	Clear colorless liquid
Hazard Symbols:	T
Risk Codes:	23/24/25-34
Safety:	26-27-36/37/39-45
PSA:	26.30000
LogP:	2.94210

Synthetic route

: 32315-10-9
bis(trichloromethyl) carbonate

: 111-27-3
hexan-1-ol

: 6092-54-2
n-hexyl chloroformate

Conditions

Conditions	Yield
Stage #1: bis(trichloromethyl) carbonate With potassium carbonate; N,N-dimethyl-formamide In toluene at 0℃; for 0.5h; Inert atmosphere; Stage #2: hexan-1-ol In toluene at 0 - 20℃; for 12h; Inert atmosphere;	83%
With pyridine In dichloromethane for 0.166667h;
With triethylamine In dichloromethane cooling;
With pyridine In dichloromethane at 0 - 20℃; for 2h;
With triethylamine In dichloromethane at 0 - 10℃; for 2h;

: 75-44-5
phosgene

: 111-27-3
hexan-1-ol

: 6092-54-2
n-hexyl chloroformate

: 111-27-3
hexan-1-ol

: 503-38-8
trichloromethyl chloroformate

: 6092-54-2
n-hexyl chloroformate

Conditions

Conditions	Yield
With pyrographite In tetrahydrofuran at 20℃; for 1h; Condensation;
With dmap In toluene at 20℃; for 24h;

: 67-66-3
chloroform

: 111-27-3
hexan-1-ol

: 6092-54-2
n-hexyl chloroformate

Conditions

Conditions	Yield
With oxygen at 30℃; for 3h; Irradiation;

: 6092-54-2
n-hexyl chloroformate

: 56613-80-0
(R)-Phenylglycinol

: 532986-19-9
hexyl (1R)-2-hydroxy-1-phenylethylcarbamate

Conditions

Conditions	Yield
With sodium hydrogencarbonate In 1,4-dioxane at 0℃; for 2h;	99%

: 6092-54-2
n-hexyl chloroformate

: 3162-96-7
4,6-O-benzylidene-1-O-methyl-α-D-glucopyranoside

: C28H42O10

Conditions

Conditions	Yield
With N,N,N,N,-tetramethylethylenediamine In dichloromethane at 0℃; for 1h;	99%

: 872728-85-3
1-methyl-2-[N-(4-amidino-phenyl)-aminomethyl]-benzimidazol-5-yl-carboxylic acid N-(2-pyridyl)-N-2-(ethoxycarbonylethyl)-amide p-toluenesulfonic acid salt

: 6092-54-2
n-hexyl chloroformate

: 211915-06-9
dabigatran etexilate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 0℃; Reagent/catalyst; Solvent; Temperature;	98.4%
With potassium carbonate In water; acetone at 12 - 25℃; for 1.5h; Solvent; Temperature; Time;	17.5 g

: 6092-54-2
n-hexyl chloroformate

: 100-46-9
benzylamine

: 1239969-89-1
hexyl benzylcarbamate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0℃; Inert atmosphere;	98%

: 6092-54-2
n-hexyl chloroformate

: 2498-50-2
4-aminobenzamidine dihydrochloride

: 1307233-93-7
4-aminobenzamidine-N-hexylcarbamate hydrochloride

Conditions

Conditions	Yield
Stage #1: n-hexyl chloroformate; 4-aminobenzamidine dihydrochloride With sodium hydroxide In acetone at 5 - 20℃; for 0.25h; Stage #2: With hydrogenchloride In water	97.2%

: 6092-54-2
n-hexyl chloroformate

: 25412-75-3
4-nitrobenzamidine

: p-nitrobenzamidine iminocarboxylate

Conditions

Conditions	Yield
With potassium carbonate In ethyl acetate at 0℃; for 1.5h; Temperature; Time; Reagent/catalyst;	96.7%

Raw Materials

503-38-8

32315-10-9

111-27-3

75-44-5

Downstream Products

20633-11-8

872728-81-9

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Specification

The Carbonochloridic acid,hexyl ester, with CAS registry number 6092-54-2, belongs to the following product categories: (1)Acid Halides; (2)Carbonyl Compounds; (3)Organic Building Blocks. It has the systematic name of hexyl carbonochloridate. This chemical is a kind of clear colorless liquid. And the chemical formula of this chemical is C₇H₁₃ClO₂.

Physical properties of Carbonochloridic acid,hexyl ester: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.57; (4)ACD/LogD (pH 7.4): 3.57; (5)ACD/BCF (pH 5.5): 301.95; (6)ACD/BCF (pH 7.4): 301.95; (7)ACD/KOC (pH 5.5): 2073.69; (8)ACD/KOC (pH 7.4): 2073.69; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.43; (14)Molar Refractivity: 41.1 cm³; (15)Molar Volume: 158.9 cm³; (16)Polarizability: 16.29×10^-24cm³; (17)Surface Tension: 30.5 dyne/cm; (18)Density: 1.035 g/cm³; (19)Flash Point: 56.3 °C; (20)Enthalpy of Vaporization: 42.34 kJ/mol; (21)Boiling Point: 187.2 °C at 760 mmHg; (22)Vapour Pressure: 0.637 mmHg at 25°C.

Uses of p-Chloropropiophenone: it can be used to produce 2-hexyloxycarbonylamino-3-phenyl-proπonic acid. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
The Carbonochloridic acid,hexyl ester is toxic by inhalation, in contact with skin and if swallowed. And this chemical may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. After usinf it, take off immediately all contaminated clothing. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)OCCCCCC
(2)InChI: InChI=1/C7H13ClO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3
(3)InChIKey: KIWBRXCOTCXSSZ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H13ClO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3
(5)Std. InChIKey: KIWBRXCOTCXSSZ-UHFFFAOYSA-N