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1,4,7-トリメチル-1,4,7-トリアザシクロノナン

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

HCID 546957
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基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
96556-05-7
標準SMILES
CN1CCN(C)CCN(C)CC1
InChIKey
WLDGDTPNAKWAIR-UHFFFAOYSA-N
分子式
C9H21N3
平均分子量
171.28 g/mol
単同位体質量
171.17354768

名称と識別子

優先名称
1,4,7-Trimethyl-1,4,7-triazacyclononane
IUPAC
1,4,7-trimethyl-1,4,7-triazonane
現地名
1,4,7-トリメチル-1,4,7-トリアザシクロノナン
英語名
1,4,7-Trimethyl-1,4,7-triazacyclononane
分子式
C9H21N3
分子量
171.28

名称と別名

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
名称をさらに表示
1,4,7-トリメチル-1,4,7-トリアザシクロノナンN,N',N''-トリメチル-1,4,7-トリアザシクロノナンオクタヒドロ-1,4,7-トリメチル-1H-1,4,7-トリアゾニン1,4,7-トリメチルオクタヒドロ-1H-1,4,7-トリアゾニン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)

データベース識別子

CAS
96556-05-7
PubChem CID
546957
DTXSID
DTXSID80338151
UNII
R7BZK76RTP
EC Number
619-228-2
Nikkaji
J351.554K

物性

構造計算による物性補完中

XLogP
-0.4
極性表面積
9.7 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
0
重原子数
12
形式電荷
0
複雑度
91

物理化学的性質

沸点
208 ℃ · 208℃
比重(密度)
0.884 g/mL · 0.884 g/mL at 25 °C(lit.)
蒸気圧
1.23 hPa · 1.23hPa at 25℃
屈折率
20 · n20/D 1.473(lit.)
闪点
155 °F · 155 °F
貯蔵温度
2 · 2-8°C
溶解性
Chloroform (Slightly), Methanol (Slightly)
酸解離定数(Pka)
8.69 · 8.69±0.20(Predicted)
外見
液体
比重
0.884 · 0.884
色
ペールイエロー
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
表面張力
59.8 · 59.8-67.5mN/m at 1g/L and 20℃

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 3 件

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.

化学と産業

応用分野

使用Useful ligand for preparing transition metal complexes.

上流・下流製品情報

上流原料

ホルマリン1,4,7-トリトシル-1,4,7-トリアザシクロノナン硫酸水素ぎ酸水酸化ナトリウム

サプライヤー

読み込み中…

公開中の見積依頼

読み込み中…

関連反応

13 件
反応記録を作成
HRID 586754 の反応式
HRID 586754反応物としてuspto-grants-2005_08
HRID 1975277 の反応式
HRID 1975277生成物としてuspto-grants-1994_02
HRID 2003579 の反応式
HRID 2003579触媒として39k HTE dataset from Pfizer
HRID 2003652 の反応式
HRID 2003652触媒として39k HTE dataset from Pfizer
HRID 2004217 の反応式
HRID 2004217触媒として39k HTE dataset from Pfizer
HRID 2004350 の反応式
HRID 2004350触媒として39k HTE dataset from Pfizer
HRID 2004374 の反応式
HRID 2004374触媒として39k HTE dataset from Pfizer
HRID 2028395 の反応式
HRID 2028395触媒として39k HTE dataset from Pfizer
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化合物ノート

読み込み中…

このページの内容基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

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%)

法規制情報

Regulatory Information · 3 件

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.

安全データ

F
10-34
wgk
3
ridadr
UN 3267 8/PG 2
hs_code
2933998090
risk_code
34
消防法
危-4-2-III
hazard_code
C,Xi
safety_code
26-36/37/39-45
hazard_class
8
packing_group
III
Hazard Classifications
Skin Corr. 1B
ストレージクラス
8A - Combustible corrosive hazardous materials