Grundinformationen
- CAS
534-13-4- Standard-SMILES
CNC(=S)NC- InChIKey
VLCDUOXHFNUCKK-UHFFFAOYSA-N- Summenformel
- C3H8N2S
- Durchschnittliche Molmasse
- 104,18 g/mol
- Monoisotopische Masse
- 104,04081944
Namen und Bezeichner
- Bevorzugter Name
- N,N'-Dimethylthiourea
- IUPAC
- 1,3-dimethylthiourea
- Lokaler Name
- 1,3-Dimethyl-2-thioharnstoff
- Englischer Name
- N,N'-DIMETHYLTHIOUREA
- Summenformel
- C3H8N2S
- Molmasse
- 104.17
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
534-13-4- PubChem CID
- 2723631
- DTXSID
DTXSID2042191- ChEMBL
CHEMBL3189044- UNII
- 8P30PMD17W
- EC Number
- 208-588-2
- Nikkaji
- J9.407B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,2
- Polarare Oberfläche (TPSA)
- 56,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 46
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 61 · 61-63 °C
- Siedepunkt
- 155 °C · 155 °C (0.7501 mmHg)
- Dichte
- 1.055 · 1.055 (estimate)
- Brechungsindex
- 1.55 · 1.5500 (estimate)
- Flammpunkt
- 200 °C · 200 °C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 1000 g/l · 1000g/l (experimental)
- Aggregatzustand
- Crystals, Crystalline Powder and/or Chunks
- pka
- 14.98 · 14.98±0.70(Predicted)
- Farbe
- Colorless to white
- PH
- 6.5 · 6.5 (100g/l, H2O, 20℃)
- Wasserlöslichkeit
- 1000 g/L · 1000g/L (experimental)
- Merck
- 14 · 14,3261
- BRN
- 605454 · 605454
- InChI
- 1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
- InChIKey
- VLCDUOXHFNUCKK-UHFFFAOYSA-N
- SMILES
- CNC(=S)NC
- CAS Datenbank
- 534 · 534-13-4(CAS DataBase Reference)
- NIST chemische Informationen
- Thiourea, N,N'-dimethyl-(534-13-4)
- EPA chemische Informationen
- N,N'-Dimethylthiourea (534-13-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.1% (1 of 88) of reports.
Danger
H301 (43.2%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (21.6%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (19.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H317 (78.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264, P270, P272, P280, P301+P316, P301+P317, P302+P352, P317, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 88 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 88 reports by companies.;There are 5 notifications provided by 87 of 88 reports by companies with hazard statement code(s).;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
Chemical: Thiourea, N,N'-dimethyl-
Thiourea, N,N'-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Regulatorische Informationen
Regulatory Information
Chemical: Thiourea, N,N'-dimethyl-
Thiourea, N,N'-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- F
- 3-10
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29309090
- RTECS-Nr.
- YT1520000
- risk_code
- 25-43
- hazard_code
- T
- safety_code
- 36/37-45
- hazard_class
- 6.1(b)
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Skin Sens. 1
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Anwendungen
BeschreibungDimethylthiocarbamide, an antioxygen agent, is responsible for sensitization, when unexposed to light, from diazo papers.
VerwendenN,N'-Dimethylthiourea is an antioxidant present in diazo copy paper to prevent yellow discoloration of the paper.
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