Benzenethiol, 2,6-dichloro-
Grundinformationen
- CAS
24966-39-0- Standard-SMILES
Sc1c(Cl)cccc1Cl- InChIKey
JBISHCXLCGVPGW-UHFFFAOYSA-N- Summenformel
- C6H4Cl2S
- Durchschnittliche Molmasse
- 179,07 g/mol
- Monoisotopische Masse
- 177,9410767
Namen und Bezeichner
- Bevorzugter Name
- Benzenethiol, 2,6-dichloro-
- IUPAC
- 2,6-dichlorobenzenethiol
- Englischer Name
- 2,6-DICHLOROTHIOPHENOL
- Summenformel
- C6H4Cl2S
- Molmasse
- 179.07
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
24966-39-0- PubChem CID
- 90671
- DTXSID
DTXSID60179680- EC Number
- 416-720-7、670-334-5
- Nikkaji
- J208.436H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 87
Physikochemische Eigenschaften
- Schmelzpunkt
- 48 · 48-50 °C(lit.)
- Siedepunkt
- 119 · 119-120 °C (10 mmHg)
- Dichte
- 1.3905 · 1.3905 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- Aggregatzustand
- solid
- pka
- 5.17 · 5.17±0.50(Predicted)
- BRN
- 2082400 · 2082400
- InChI
- InChI=1S/C6H4Cl2S/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
- InChIKey
- JBISHCXLCGVPGW-UHFFFAOYSA-N
- SMILES
- C1(S)=C(Cl)C=CC=C1Cl
- CAS Datenbank
- 24966 · 24966-39-0(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];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, P317, 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 7 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.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3625
2,6-Dichlorothiophenol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (25%);Acute Tox. 4 (25%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (25%);STOT SE 3 (75%)
Acute Tox. 4 (14.3%);Acute Tox. 4 (14.3%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);Acute Tox. 4 (14.3%);STOT SE 3 (100%)
Regulatorische Informationen
Regulatory Information
Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3625
2,6-Dichlorothiophenol: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29309090
- risk_code
- 20/21/22-36/37/38
- Toxizität
- LD50 orally in Rabbit: 2400 mg/kg
- hazard_code
- Xn,Xi
- hazard_note
- Harmful/Stench
- safety_code
- 26-37/39-36
- packing_group
- III
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