Myristoyl chloride

HCID 66986CAS 112-64-1

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Grundinformationen

Standard-SMILES: CCCCCCCCCCCCCC(=O)Cl
InChIKey: LPWCRLGKYWVLHQ-UHFFFAOYSA-N
Summenformel: C14H27ClO
Durchschnittliche Molmasse: 246,81 g/mol
Monoisotopische Masse: 246,17504316

Namen und Bezeichner

Bevorzugter Name: Myristoyl chloride
IUPAC: tetradecanoyl chloride
Englischer Name: Myristoyl chloride
Summenformel: C14H27ClO
Molmasse: 246.82

Namen und Synonyme

Myristoyl chlorideTetradecanoyl chloridemyristic acid chloridetetradecanoic acid chlorideB9J09WN7SUNSC 9417NSC-9417EINECS 203-994-6UNII-B9J09WN7SUDTXSID3059422EC 203-994-6RefChem:160421

Weitere Namen anzeigen

MyristoyLDK483Myristic chlorideMyristoylChloride97%MYRISTOYL CHLORIDE 98%Myristoyl Chloride >MYRISTOYL CHLORIDE 98+%

DTXCID9033264203-994-6LPWCRLGKYWVLHQ-UHFFFAOYSA-N112-64-1MFCD00000741C14H27ClOMyristic Acid Chloride; NSC 9417; Tetradecanoic Acid Chloride; n-Tetradecanoyl Chloride; Tetradecanoyl Chloridetetradecanoylchloride

Datenbank-Bezeichner

CAS: 112-64-1
PubChem CID: 66986
DTXSID: DTXSID3059422
UNII: B9J09WN7SU
EC Number: 203-994-6
Nikkaji: J94.930B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,3
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 12
Schwere Atome: 16
Formalladung: 0
Komplexität: 157

Physikochemische Eigenschaften

Schmelzpunkt: -1 °C · -1 °C (lit.)
Siedepunkt: 250 °C/100 · 250 °C/100 mmHg (lit.)
Dichte: 0.908 g/mL · 0.908 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.449(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 20 °C · −20°C
Aggregatzustand: Liquid
Farbe: Clear colorless to light yellow-brown
Wasserlöslichkeit: MAY DECOMPOSE
BRN: 636924 · 636924
InChI: InChI=1S/C14H27ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3
InChIKey: LPWCRLGKYWVLHQ-UHFFFAOYSA-N
SMILES: C(Cl)(=O)CCCCCCCCCCCCC
CAS Datenbank: 112 · 112-64-1(CAS DataBase Reference)
NIST chemische Informationen: Myristoyl chloride(112-64-1)
EPA chemische Informationen: Tetradecanoyl chloride (112-64-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H290 (65.9%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 170 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Tetradecanoyl chloride

Status: Cease Manufacture Update: 23-08-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6864

Tetradecanoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Tetradecanoyl chloride: Human health tier I assessment

Hazard Classes and CategoriesMet. Corr. 1 (65.9%)

Sicherheitsdaten

F: 10-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29159000
risk_code: 34-37-22
hazard_code: C
safety_code: 26-36/37/39-45-28B
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Met. Corr. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationTetradecanoyl chloride: ACTIVE

Anwendungen · 1 Eintrag

VerwendenIt was used in the synthesis of 6-azafulleroid-6-deoxy-2,3-di-O-myristoylcellulose1 and was used in N-acylation of chitosan to introduce hydrophobicity for use as matrix for drug delivery; Myristoyl chloride was used in the synthesis of semi-crystalline dendritic poly(ether-amide) derivatives.