(3-Chloroprop-1-yn-1-yl)benzene

HCID 287343CAS 3355-31-5

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Grundinformationen

Standard-SMILES: ClCC#Cc1ccccc1
InChIKey: RMPSZEZJKSUNKR-UHFFFAOYSA-N
Summenformel: C9H7Cl
Durchschnittliche Molmasse: 150,6 g/mol
Monoisotopische Masse: 150,0236279

Namen und Bezeichner

Bevorzugter Name: (3-Chloroprop-1-yn-1-yl)benzene
IUPAC: 3-chloroprop-1-ynylbenzene
Englischer Name: 1-PHENYL-3-CHLORO-1-PROPYNE
Summenformel: C9H7Cl
Molmasse: 150.6

Namen und Synonyme

(3-Chloroprop-1-yn-1-yl)benzeneDTXSID20955184RefChem:400107DTXCID801383186628-693-03355-31-51-PHENYL-3-CHLORO-1-PROPYNE3-Chloro-1-phenyl-1-propyne3-chloroprop-1-ynylbenzene3-Phenylpropargyl chlorideMFCD064110851-Chloro-3-phenyl-2-propyne

Weitere Namen anzeigen

1-PHENYL-3-CHLORO-1-Benzene,(3-chloro-1-propynyl)-

Benzene, (3-chloro-1-propynyl)-1-Phenyl-3-chloro-1-propyn3-phenyl-2-propynyl chloride(3-Chloro-prop-1-ynyl)-benzeneNSC1471273-chloro-1-phenyl propyne(3-chloro-l-propynyl)benzeneSCHEMBL2697029

Datenbank-Bezeichner

CAS: 3355-31-5
PubChem CID: 287343
DTXSID: DTXSID20955184
EC Number: 628-693-0
Nikkaji: J1.428.124J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 143

Physikochemische Eigenschaften

Siedepunkt: 102 · 102-104 °C
Dichte: 1.095 g/mL · 1.095 g/mL at 25 °C
Brechungsindex: 1.585 · 1.585
Flammpunkt: 104 · 104 ºC
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: 1S/C9H7Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,8H2
InChIKey: RMPSZEZJKSUNKR-UHFFFAOYSA-N
SMILES: ClCC#Cc1ccccc1
CAS Datenbank: 3355 · 3355-31-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.