Grundinformationen
- CAS
92-39-7- Standard-SMILES
Clc1ccc2c(c1)Nc1ccccc1S2- InChIKey
KFZGLJSYQXZIGP-UHFFFAOYSA-N- Summenformel
- C12H8ClNS
- Durchschnittliche Molmasse
- 233,72 g/mol
- Monoisotopische Masse
- 233,00659794
Namen und Bezeichner
- Bevorzugter Name
- 2-Chlorophenothiazine
- IUPAC
- 2-chloro-10H-phenothiazine
- Lokaler Name
- 2-Chlorphenothiazin
- Englischer Name
- 2-Chlorophenothiazine
- Summenformel
- C12H8ClNS
- Molmasse
- 233.72
Namen und Synonyme
2-Chlorophenothiazine2-Chloro-10H-phenothiazine10H-Phenothiazine, 2-chloro-PHENOTHIAZINE, 2-CHLORO-NSC 174692-chloro-phenothiazineNSC 170953DTXSID3057854EINECS 202-152-5UNII-95H3AO2301NSC-17469NSC-67188
Weitere Namen anzeigen
ChlorophenothiazineChlorpromazine impurity E CRSNSC 67188orophenothiazineTIMTEC-BB SBB0032553-CHLOROPHENOTHIAZINE
95H3AO2301NSC-1709532-CL-PHDTXCID4031643PROCHLORPERAZINE MALEATE IMPURITY D [EP IMPURITY]CHLORPROMAZINE HYDROCHLORIDE IMPURITY E [EP IMPURITY]PROCHLORPERAZINE MALEATE IMPURITY D (EP IMPURITY)CHLORPROMAZINE HYDROCHLORIDE IMPURITY E (EP IMPURITY)
Datenbank-Bezeichner
- CAS
92-39-7- PubChem CID
- 7088
- DTXSID
DTXSID3057854- ChEMBL
CHEMBL1411769- UNII
- 95H3AO2301
- EC Number
- 202-152-5
- Nikkaji
- J50.183B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,8
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 236
Physikochemische Eigenschaften
- Schmelzpunkt
- 195 · 195-200 °C (lit.)
- Siedepunkt
- 395.7 · 395.7±31.0 °C(Predicted)
- Dichte
- 1.235 · 1.2350 (rough estimate)
- Brechungsindex
- 1.61 · 1.6100 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly, Sonicated)
- pka
- -2.28 · -2.28±0.20(Predicted)
- Aggregatzustand
- crystals
- Farbe
- Pale Beige to Beige
- BRN
- 176587 · 176587
- InChI
- InChI=1S/C12H8ClNS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H
- InChIKey
- KFZGLJSYQXZIGP-UHFFFAOYSA-N
- SMILES
- C1=C2C(SC3=C(N2)C=CC=C3)=CC=C1Cl
- LogP
- 3.28 · 3.28
- CAS Datenbank
- 92 · 92-39-7(CAS DataBase Reference)
- EPA chemische Informationen
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (67.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 67 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 26-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/20669
10H-Phenothiazine, 2-chloro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (67.2%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2934300000
- RTECS-Nr.
- SN7580000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Skin Sens. 1
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information10H-Phenothiazine, 2-chloro-: INACTIVE
Anwendungen
Verwenden2-Chlorophenothiazine may be used as starting reagent for the synthesis of N-(10H-phenothiazin-1-yl) benzene sulphonamide.
Vor- und nachgelagerte Produkte
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Nachgelagerte Produkte
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