Cycloheptatriene (HCID 11000)

Überblick

Cycloheptatriene appears as a colorless liquid. Insoluble in water and less dense than water. Vapors heavier than air. Inhalation of high concentrations may have a narcotic effect. Used to make other chemicals.

Namen und Bezeichner

Bevorzugter Name: Cycloheptatriene
IUPAC: cyclohepta-1,3,5-triene
Lokaler Name: 1,3,5-Cycloheptatrien
Englischer Name: Cycloheptatriene
Summenformel: C7H8
Molmasse: 92.14

Namen und Synonyme

Cycloheptatriene544-25-21,3,5-CYCLOHEPTATRIENETropilideneTropilidineTropilidenP58Q106NTFDTXSID5073909RefChem:129514DTXCID7041708208-866-3Cyclohepta-1,3,5-triene

Weitere Namen anzeigen

CHT1,3,5-Cycloheptariene1，3，5-CycioheptatrieneTropiLTropilidinTropylidene

CycloheptatrienTropylidenZykloheptatrien1H-[7]annuleneMFCD00004146Cycloheptatriene; Tropiliden; TropilideneEINECS 208-866-3UN2603

Datenbank-Bezeichner

CAS: 544-25-2
PubChem CID: 11000
DTXSID: DTXSID5073909
ChEBI: CHEBI:37519
UNII: P58Q106NTF
EC Number: 208-866-3
Nikkaji: J14.160G、J2.695.164J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 102

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Other Classes -> Aliphatics, Unsaturated

Flammable agents - 3rd degree

SpringerMaterials PropertiesCoriolis coupling

LogP2.63

Vapor Pressure23.5 [mmHg]

Physical Description · 2 Einträge

Cycloheptatriene appears as a colorless liquid. Insoluble in water and less dense than water. Vapors heavier than air. Inhalation of high concentrations may have a narcotic effect. Used to make other chemicals.

Colorless liquid; [CAMEO] Yellow liquid with an unpleasant odor; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -79.5 °C · -79.5°C
Siedepunkt: 116 · 116-117 °C (lit.)
Dichte: 0.888 g/mL · 0.888 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.519(lit.)
Flammpunkt: 80 °F · 80 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Ethanol (Slightly)
Aggregatzustand: clear liquid
Farbe: Colorless to Light orange to Yellow
Wasserlöslichkeit: insoluble
BRN: 506066 · 506066
Henry's Law Constant: 2.2 · 2.2×10-3 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000)
Dielectric constant: 2.54 · 2.54
InChI: 1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2
InChIKey: CHVJITGCYZJHLR-UHFFFAOYSA-N
SMILES: C1C=CC=CC=C1
LogP: 2.63 · 2.630
CAS Datenbank: 544 · 544-25-2(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1,3,5-Cycloheptatriene(544-25-2)
EPA chemische Informationen: 1 · 1,3,5-Cycloheptatriene (544-25-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (97.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P331, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 1,3,5-Cycloheptatriene

1,3,5-Cycloheptatriene: 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.)

DOT LabelFlammable Liquid Poison

Fire Hazards · 2 Einträge

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2 Einträge

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

· TOXIC; may be fatal if inhaled, ingested or absorbed through skin.

Hazards Summary · 1 Eintrag

Causes convulsions, regional or general arteriolar constriction, and hemorrhage in oral lethal-dose studies of rats and mice; [RTECS] May polymerize; May be narcotic at high concentrations; [CAMEO] A skin and strong eye irritant; Highly toxic by ingestion; Toxic by skin absorption; An aspiration hazard by ingestion (may cause lung injury); [Alfa Aesar MSDS] See Cyclohexene.

DOT ID and Guide2603 131

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 Einträge

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

Nonfire Spill ResponseExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

Immediate precautionary measure

Toxikologische Informationen

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Sicherheitsdaten

F: 10-23
wgk: 3
ridadr: UN 2603
hs_code: 29021990
RTECS-Nr.: GU3675000
risk_code: 11-25-36/37/38-65
hazard_code: F,T
safety_code: 16-26-36/37/39-45-62
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

UsesUsed to make other chemicals; [CAMEO]

Anwendungen · 1 Eintrag

Verwenden1,3,5-Cycloheptatriene functions as a ligand in organometallic chemistry and also as a building block in organic synthetic processes. 1,3,5-Cycloheptatriene is applied in cycloheptatrienyl transition zirconium complexes formation and in other organic complex formation processes.