基本情報
- CAS
6358-36-7- 標準SMILES
CCN(CC)c1ccc(C(=N)c2ccc(N(CC)CC)cc2)cc1.Cl- InChIKey
LQVYCDPEZPBOMT-UHFFFAOYSA-N- 分子式
- C21H29N3.ClH
- 平均分子量
- 359.9 g/mol
- 単同位体質量
- 359.2128257
名称と識別子
- 優先名称
- Benzenamine, 4,4'-carbonimidoylbis(N,N-diethyl-, hydrochloride (1:1)
- IUPAC
- 4-[4-(diethylamino)benzenecarboximidoyl]-N,N-diethylaniline;hydrochloride
- 現地名
- 4,4'-カルボンイミドイルビス[N,N-ジエチルベンゼンアミン]·塩酸塩
- 英語名
- 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride
- 分子式
- C21H30ClN3
- 分子量
- 359.936
名称と別名
C.I. Basic Yellow 37Basic Yellow 37Ethyl auramineCalcozine Yellow FWEthylauramine chlorideC.I. Basic Yellow 37, monohydrochlorideEthylauramine hydrochloride4,4'-Bis(diethylamino)benzophenone imine hydrochlorideC.I. 41001EINECS 228-770-5NSC 334614,4'-Bis(diethylamino)benzophenoneimine hydrochloride
名称をさらに表示
4,4'-カルボンイミドイルビス[N,N-ジエチルベンゼンアミン]·塩酸塩C.I.ベイシックエロー374,4'-カルボンイミドイルビス(N,N-ジエチルベンゼンアミン)·塩酸塩C.I.ベイシックイエロー374,4′-カルボンイミドイルビス(N,N-ジエチルベンゼンアミン)・塩酸塩C.I.BASICYELLOW37Basic yellow 37 (C.I. 41001)C.I.Basic Yellow 37:C.I.41001MONOHYDROCHLORIDE 4,4''-CARBONIMIDOYLBIS(N,N-DIETHYLBENZENAMINEBenzenamine, 4,4-carbonimidoylbisN,N-diethyl-, monohydrochloride4-[4-(diethylamino)benzenecarboximidoyl]-N,N-diethylaniline:hydrochloride
4,4'-Carbonimidoylbis(N,N-diethylaniline) monohydrochloride4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochlorideDTXSID40884265Benzenamine, 4,4'-carbonimidoylbis(N,N-diethyl-, monohydrochlorideBenzenamine, 4,4'-carbonimidoylbis[N,N-diethyl-, monohydrochlorideBenzenamine, 4,4'-carbonimidoylbis(N,N-diethyl-, hydrochloride (1:1)Aniline, 4,4'-imidocarbonylbis(N,N-diethyl-, monohydrochlorideBenzenamine, 4,4'-carbonimidoylbis[N,N-diethyl-, hydrochloride (1:1)
物性
構造計算による物性
- 極性表面積
- 30.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 8
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 323
実験および物理化学的性質
Physical DescriptionWet Solid
物理化学的性質
- 融点
- 262 °C · 262 °C
- 沸点
- 432.92 ℃[at · 432.92℃[at 101 325 Pa]
- 比重(密度)
- 0.721 · 0.721[at 20℃]
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 水溶解度
- 1.531 g/L · 1.531g/L at 30℃
- LogP
- 1.757 · 1.757-2.55
- EPAの化学物質情報
- 37 · C.I. Basic Yellow 37, monohydrochloride (6358-36-7)
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
Danger
H318 (99.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 563 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Benzenamine, 4,4'-carbonimidoylbis[N,N-diethyl-, monohydrochloride
Benzenamine, 4,4'-carbonimidoylbis[N,N-diethyl-, hydrochloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 4,4'-carbonimidoylbis[N,N-diethyl-, hydrochloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride (EC: 228-770-5)
Benzenamine, 4,4'-carbonimidoylbis[N,N-diethyl-, monohydrochloride: 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.
Hazard Classes and CategoriesEye Dam. 1 (99.3%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 74,000 lb
Consumer UsesPigment
General Manufacturing InformationBenzenamine, 4,4'-carbonimidoylbis[N,N-diethyl-, hydrochloride (1:1): ACTIVE
調製方法
製造方法The sulfur was dissolved in 4 – (4-Diethylamino) benzyl)-N, N-diethylbenzenamine was added ammonium chloride and sodium chloride, in a stream of ammonia was heated at 175 ℃ mixture was extracted with hot water, dye, and then salting.
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