Grundinformationen
- Standard-SMILES
O=C(Cl)N(c1ccccc1)c1ccccc1- InChIKey
XNBKKRFABABBPM-UHFFFAOYSA-N- Summenformel
- C13H10ClNO
- Durchschnittliche Molmasse
- 231,68 g/mol
- Monoisotopische Masse
- 231,04509162
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- N,N-Diphenylcarbamic chloride
- IUPAC
- N,N-diphenylcarbamoyl chloride
- Lokaler Name
- Diphenylcarbamoylchlorid
- Englischer Name
- Diphenylcarbamyl chloride
- Summenformel
- C13H10ClNO
- Molmasse
- 231.68
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
83-01-2- PubChem CID
- 65741
- DTXSID
DTXSID2058885- UNII
- LJ209318B2
- EC Number
- 201-450-2
- Nikkaji
- J29.581G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 20,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 214
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 83 · 83-85 °C
- Siedepunkt
- 207 °C · 207°C (rough estimate)
- Dichte
- 1.1781 · 1.1781 (rough estimate)
- Brechungsindex
- 1.633 · 1.6330 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- organic solvents: soluble
- Aggregatzustand
- Crystalline Powder
- pka
- -4.13 · -4.13±0.50(Predicted)
- Farbe
- Beige to gray-green
- Wasserlöslichkeit
- reacts
- BRN
- 515312 · 515312
- InChI
- 1S/C13H10ClNO/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
- InChIKey
- XNBKKRFABABBPM-UHFFFAOYSA-N
- SMILES
- ClC(=O)N(c1ccccc1)c2ccccc2
- CAS Datenbank
- 83 · 83-01-2(CAS DataBase Reference)
- NIST chemische Informationen
- Diphenylcarbamoyl chloride(83-01-2)
- EPA chemische Informationen
- Carbamic chloride, diphenyl- (83-01-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 04-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20837
Diphenylcarbamyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes kidney and bladder changes in oral lethal-dose studies of rats; [RTECS] Corrosive; May cause skin sensitization; [Merck Index] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; May cause skin sensitization; [Sigma-Aldrich MSDS] See Dimethyl carbamoyl chloride. Search for (83-01-2[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results; [PubMed]
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29242995
- RTECS-Nr.
- EY5065000
- risk_code
- 34-43-29
- hazard_code
- C
- safety_code
- 26-36/37/39-45-28A
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Skin Corr. 1BSkin Sens. 1
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenN,N-Diphenylcarbamyl Chloride (Temozolomide USP Related Compound C) is used in the production of a high performance polyamide used as an electrical switch for memory devices. Also used in the synthesis of modified oligoribonucleotides base pairs.
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