基本情報
- CAS
16044-24-9- 標準SMILES
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1.O=S(=O)([O-])O- InChIKey
VUFBTYDTQCZLCG-UHFFFAOYSA-M- 分子式
- C23H25N2.HO4S
- 平均分子量
- 426.5 g/mol
- 単同位体質量
- 426.16132849
名称と識別子
- 優先名称
- Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, sulfate (1:1)
- IUPAC
- [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;hydrogen sulfate
- 現地名
- N-[4-[[4-(ジメチルアミノ)フェニル]フェニルメチレン]-2,5-シクロヘキサジエン-1-イリデン]-N-メチルメタンアミニウム・水素スルファート
- 英語名
- dimethyl[4-[4-(dimethylamino)-alpha-phenylbenzylidene]-2,5-cyclohexadien-1-ylidene]ammonium hydrogen sulphate
- 分子式
- C23H26N2O4S
- 分子量
- 426.53
名称と別名
16044-24-9EINECS 240-185-7DTXSID8066000Dimethyl(4-(4-(dimethylamino)-alpha-phenylbenzylidene)-2,5-cyclohexadien-1-ylidene)ammonium hydrogen sulphateDimethyl[4-[4-(dimethylamino)-alpha-phenylbenzylidene]-2,5-cyclohexadien-1-ylidene]ammonium hydrogen sulphateMethanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, sulfate (1:1)Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, sulfate (1:1)RefChem:156892DTXCID5035165240-185-7Methanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, hydrogen sulfateMethanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, hydrogen sulfate
名称をさらに表示
N-[4-[[4-(ジメチルアミノ)フェニル]フェニルメチレン]-2,5-シクロヘキサジエン-1-イリデン]-N-メチルメタンアミニウム・水素スルファートC.I. Basic Green 4 (hydrogen sulfate)
物性
構造計算による物性
- 極性表面積
- 92.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 3
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 592
物理化学的性質
- 蒸気圧
- 0 Pa · 0Pa at 20℃
- EPAの化学物質情報
- 4 · Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, hydrogen sulfate (16044-24-9)
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
This chemical does not meet GHS hazard criteria for 16.1% (9 of 56) of reports.
Danger
H302 (83.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
危険有害性情報
Regulatory Information
Chemical: Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, hydrogen sulfate
REACH registered substance: Dimethyl[4-[4-(dimethylamino)-α-phenylbenzylidene]-2,5-cyclohexadien-1-ylidene]ammonium hydrogen sulphate (EC: 240-185-7)
Methanaminium, N-4-4-(dimethylamino)phenylphenylmethylene-2,5-cyclohexadien-1-ylidene-N-methyl-, hydrogen sulfate: 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 InformationIMAP assessments - Malachite green and related chemicals: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (83.9%)
Acute toxicity - category 4
安全データ
- tsca
- TSCA listed
- ridadr
- 3077
- hazard_class
- 9
- packing_group
- III
化学と産業
用途と製造
General Manufacturing InformationMethanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, sulfate (1:1): ACTIVE
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