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1,4,7-Trimethyl-1,4,7-triazacyclononane

HCID 546957
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Grundinformationen

CAS
96556-05-7
Standard-SMILES
CN1CCN(C)CCN(C)CC1
InChIKey
WLDGDTPNAKWAIR-UHFFFAOYSA-N
Summenformel
C9H21N3
Durchschnittliche Molmasse
171,28 g/mol
Monoisotopische Masse
171,17354768

Namen und Bezeichner

Bevorzugter Name
1,4,7-Trimethyl-1,4,7-triazacyclononane
IUPAC
1,4,7-trimethyl-1,4,7-triazonane
Englischer Name
1,4,7-Trimethyl-1,4,7-triazacyclononane
Summenformel
C9H21N3
Molmasse
171.28

Namen und Synonyme

96556-05-71,4,7-Trimethyl-1,4,7-triazacyclononanetmtacnR7BZK76RTP1H-1,4,7-Triazonine, octahydro-1,4,7-trimethyl-DTXSID80338151Me3TACNRefChem:415827DTXCID60289238619-228-21,4,7-Trimethyl-1,4,7-triazonaneMFCD00012359
Weitere Namen anzeigen
CL232ononane147TM147TZ1,4,7-TrimethyLTRIMETHYL TRICLEN-1,4,7-triazacycL1,4,7-Trimethyl-1,4,7-triazacycl1,4,7-Trimethyl-1,4,7-Triazacylononane
TMTANOctahydro-1,4,7-trimethyl-1H-1,4,7-triazoninen,n',n''-trimethyl-1,4,7-triazacyclononaneOctahydro-1,4,7-trimethyl-1H-1,4,7-triazonine; 1,4,7-Trimethyl-1,4,7-triazonane; N,N',N''-Trimethyl-1,4,7-triazacyclononane; TMTAN;UNII-R7BZK76RTPSCHEMBL151183orb29399071,4,7-Trimethyl-1,4,7-triazacyclononane (stabilized with NaHCO3)

Datenbank-Bezeichner

CAS
96556-05-7
PubChem CID
546957
DTXSID
DTXSID80338151
UNII
R7BZK76RTP

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
-0,4
Polarare Oberfläche (TPSA)
9,7 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
0
Schwere Atome
12
Formalladung
0
Komplexität
91

Physikochemische Eigenschaften

Siedepunkt
208 ℃ · 208℃
Dichte
0.884 g/mL · 0.884 g/mL at 25 °C(lit.)
Dampfdruck
1.23 hPa · 1.23hPa at 25℃
Brechungsindex
20 · n20/D 1.473(lit.)
Flammpunkt
155 °F · 155 °F
storage temp.
2 · 2-8°C
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)
pka
8.69 · 8.69±0.20(Predicted)
Aggregatzustand
liquid
Wichte
0.884 · 0.884
Farbe
pale yellow
BRN
4174812 · 4174812
InChI
1S/C9H21N3/c1-10-4-6-11(2)8-9-12(3)7-5-10/h4-9H2,1-3H3
InChIKey
WLDGDTPNAKWAIR-UHFFFAOYSA-N
SMILES
CN1CCN(C)CCN(C)CC1
LogP
0.446 · 0.446-1.67 at 40℃ and pH7-10.5

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (36.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 108 reports by companies from 6 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 · 3 Einträge

Chemical: 1H-1,4,7-Triazonine, octahydro-1,4,7-trimethyl-;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. A person introducing this chemical must tell us in writing within 28 calendar days if any of the following circumstances have occurred in relation to their introduction (importation or manufacture):;a. the introduction volume of the chemical exceeds 1 tonne per annum;;b. the concentration of the chemical exceeds or is intended to exceed 0.3% in paints or coatings.;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessment—it has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.

Chemie und Industrie

Anwendungen

VerwendenUseful ligand for preparing transition metal complexes.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Formaldehyd1,4,7-tris[(4-Methylphenyl)sulfonyl]-1,4,7-triazonaneSchwefelsureAmeisensureNatriumhydroxid

Anbieter100 Anbieter

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上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
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普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Zugehörige Reaktionen

13
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 586754
HRID 586754als Eduktuspto-grants-2005_08
Reaktionsgleichung von HRID 1975277
HRID 1975277als Produktuspto-grants-1994_02
Reaktionsgleichung von HRID 2003579
HRID 2003579als Katalysator39k HTE dataset from Pfizer
Reaktionsgleichung von HRID 2003652
HRID 2003652als Katalysator39k HTE dataset from Pfizer
Reaktionsgleichung von HRID 2004217
HRID 2004217als Katalysator39k HTE dataset from Pfizer
Reaktionsgleichung von HRID 2004350
HRID 2004350als Katalysator39k HTE dataset from Pfizer
Reaktionsgleichung von HRID 2004374
HRID 2004374als Katalysator39k HTE dataset from Pfizer
Reaktionsgleichung von HRID 2028395
HRID 2028395als Katalysator39k HTE dataset from Pfizer
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EC Number
619-228-2
Nikkaji
J351.554K
Oberflächenspannung
59.8 · 59.8-67.5mN/m at 1g/L and 20℃

Status: Active Update: 08-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19878;Status: Active Update: 23-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19294

1,4,7-trimethyl-1,4,7-triazacyclononane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationAssessment (Variation) - 1H-1,4,7-Triazonine, octahydro-1,4,7- trimethyl-: Health and Environment
Hazard Classes and CategoriesAcute Tox. 4 (25%);Skin Corr. 1B (100%);Eye Dam. 1 (36.1%)

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: 1H-1,4,7-Triazonine, octahydro-1,4,7-trimethyl-;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. A person introducing this chemical must tell us in writing within 28 calendar days if any of the following circumstances have occurred in relation to their introduction (importation or manufacture):;a. the introduction volume of the chemical exceeds 1 tonne per annum;;b. the concentration of the chemical exceeds or is intended to exceed 0.3% in paints or coatings.;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessment—it has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.

Status: Active Update: 08-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19878;Status: Active Update: 23-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19294

1,4,7-trimethyl-1,4,7-triazacyclononane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Sicherheitsdaten

F
10-34
wgk
3
ridadr
UN 3267 8/PG 2
hs_code
2933998090
risk_code
34
hazard_code
C,Xi
safety_code
26-36/37/39-45
hazard_class
8
packing_group
III
Speicherklasse
8A - Combustible corrosive hazardous materials
Hazard Classifications
Skin Corr. 1B
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