Hexyl chloroformate (HCID 22466)

Überblick

used as an indicator

Namen und Bezeichner

Bevorzugter Name: Hexyl chloroformate
IUPAC: hexyl carbonochloridate
Lokaler Name: Hexylchlorformiat
Englischer Name: HEXYL CHLOROFORMATE
Summenformel: C7H13ClO2
Molmasse: 164.63

Namen und Synonyme

Hexyl chloroformate6092-54-2Carbonochloridic acid, hexyl esterN-HEXYL CHLOROFORMATEHexyl chlorocarbonateChloroformic acid N-hexyl esterhexylchloroformateFormic acid, chloro-, hexyl esterMU6004C2Z3DTXSID1064110RefChem:830077DTXCID9042914

Weitere Namen anzeigen

N-HEXYLCHLOROFOMATEN-HexachloroformatehexylchlorocarbonateHexyl chloridocarbonateHexyl chloroformate,98%Hexyl chloroformate 97%Hexyl Chloroformate >

228-036-4hexyl carbonochloridateChloroformic Acid Hexyl EsterMFCD00000651n-hexylchloroformateDabigatran Etexilate Impurity 24Hexyl carbonochloridoateUNII-MU6004C2Z3

Datenbank-Bezeichner

CAS: 6092-54-2
PubChem CID: 22466
DTXSID: DTXSID1064110
UNII: MU6004C2Z3
EC Number: 228-036-4
Nikkaji: J151.122J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 6
Schwere Atome: 10
Formalladung: 0
Komplexität: 93,6

Experimentelle und physikochemische Eigenschaften

Chemical ClassesToxic Gases & Vapors -> Acid Halides

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Density1.007

Color/FormClear, colorless liquid /Chloroformates/

Boiling Point60-61 °C at 7 mm Hg

Vapor Pressure · 2 Einträge

3.1 [mmHg]

7 mm Hg at 60-61 °C

Physikochemische Eigenschaften

Siedepunkt: 60 · 60-61 °C/7 mmHg (lit.)
Dichte: 1.007 g/mL · 1.007 g/mL at 25 °C (lit.)
Dampfdruck: 0.06 psi · 0.06 psi ( 20 °C)
Brechungsindex: 20 · n20/D 1.424(lit.)
Flammpunkt: 61 °C · 61°C
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
Farbe: Clear colorless
InChI: InChI=1S/C7H13ClO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3
InChIKey: KIWBRXCOTCXSSZ-UHFFFAOYSA-N
SMILES: C(Cl)(OCCCCCC)=O
CAS Datenbank: 6092 · 6092-54-2(CAS DataBase Reference)
EPA chemische Informationen: Carbonochloridic acid, hexyl ester (6092-54-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (22.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 188 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16600

Hazards SummaryA corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause pulmonary edema and chemical pneumonitis; A lachrymator; [MSDSonline] See CHLOROFORMATES.

Hazard Classes and CategoriesAcute Tox. 3 (22.9%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Non-Human Toxicity ExcerptsTHE APPROX LETHAL DOSE OF IP INJECTIONS IN MICE WAS FROM LESS THAN 1 MG/KG TO MORE THAN 15 ML/KG.

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: 2742
hs_code: 29159000
risk_code: 23/24/25-34
hazard_code: T
safety_code: 26-27-36/37/39-45
hazard_class: 6.1(a)
packing_group: II
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Giftige Stoffe Daten: 6092-54-2(Hazardous Substances Data)
Hazard Classifications: Acute Tox. 3 OralSkin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Used as intermediate; [HSDB]

Intermediate for synthesis of pesticides, perfumes, drugs, polymers, dyes, and other chemicals /Chloroformates/

ImpuritiesCarbon dioxide, hydrogen chloride, phosgene, and alkyl chlorides; main impurities are corresponding carbonates /Chloroformic esters/

Methods of ManufacturingPrepared by the reaction of liquid anhydrous alcohol /n-hexyl alcohol/ with molar excess of dry, chlorine-free phosgene at low temperature /Alkyl chlorofomates/

Formulations/Preparations · 3 Einträge

Typical specifications of commercial chloroformates: purity, 98%; phosgene, <0.1%, iron, <10 ppm; acidity as HCl, <0.1%; alcohol or phenol, <2% /Chloroformic esters/

Commercial products have concentrations of 97-99 wt% /Chloroformic esters/

97%

General Manufacturing Information · 2 Einträge

Carbonochloridic acid, hexyl ester: ACTIVE

Most chloroformate production is used captively and production figures are not available /Chloroformic esters/

Anwendungen · 1 Eintrag

VerwendenHexyl chloroformate has been used as derivatization reagent in: determination of sarcosine and N-ethylglycine in urine and urinary sediments by solid-phase micro extraction and fast GC-MS analysis determination of benzoylecgonine in urine by GC-quadrupole ion trap mass spectrometry