tert-BUTYL CHLORIDE

HCID 10486CAS 507-20-0

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Grundinformationen

Standard-SMILES: CC(C)(C)Cl
InChIKey: NBRKLOOSMBRFMH-UHFFFAOYSA-N
Summenformel: C4H9Cl
Durchschnittliche Molmasse: 92,57 g/mol
Monoisotopische Masse: 92,03927797

Namen und Bezeichner

Bevorzugter Name: tert-BUTYL CHLORIDE
IUPAC: 2-chloro-2-methylpropane
Englischer Name: tert-Butyl chloride
Summenformel: C4H9Cl
Molmasse: 92.56726

Namen und Synonyme

2-Chloro-2-methylpropane507-20-0tert-Butyl chloridePropane, 2-chloro-2-methyl-TrimethylchloromethaneChlorotrimethylmethanetert-Butylchloride2-Chloroisobutanet-Butylchloride2-Methyl-2-chloropropane2-Methyl-2-propyl chlorideNSC 6527

Weitere Namen anzeigen

DTXSID2023937EINECS 208-066-4JN2YO95TZ0BRN 1730872CCRIS 9388AI3-30754NSC-6527BUTYL CHLORIDE, TERT-

Datenbank-Bezeichner

CAS: 507-20-0
PubChem CID: 10486
DTXSID: DTXSID2023937
ChEMBL: CHEMBL346997
UNII: JN2YO95TZ0
EC Number: 208-066-4
Nikkaji: J2.614J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 5
Formalladung: 0
Komplexität: 25,1

Experimentelle und physikochemische Eigenschaften

Chemical ClassesFlammable agents - 3rd degree

SolventsSolvents -> Chlorinated Aliphatics

SpringerMaterials PropertiesDunham energy parameter

PesticidesPesticide -> EPA IRIS

LogP1.82

Density0.87 @25 °C

Physikochemische Eigenschaften

Schmelzpunkt: -26 °C · -26 °C
Siedepunkt: 50.9 °C · 50.9 °C
Dichte: 0.8511 g/cm3 · 0.8511 g/cm3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 93 reports by companies from 5 notifications to the ECHA C&L Inventory.

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Propane, 2-chloro-2-methyl-

Status: Active Update: 10-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23807

2-Chloro-2-methylpropane: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazards Summary · 1 Eintrag

Symptoms possibly indicative of neurotoxicity (disturbed coordination, reduced motility, hunched posture, etc.) observed in oral lethal-dose study of rats; [EPA - TSCATS] May cause irritation; [Sigma-Aldrich MSDS] See 2-Chlorobutane and n-Butyl chloride.

Hazard Classes and Categories · 3 Einträge

Flam. Liq. 2 (100%)

Flammable liquids - Category 2

Flammable agents - 3rd degree