基本情報
- CAS
83969-12-4- 標準SMILES
CC(C)N(c1n[n+](C)c(N=Nc2ccc(N(C)C)cc2)s1)C(C)C.COS(=O)(=O)[O-]- InChIKey
MLTFWXODZCFGQN-UHFFFAOYSA-M- 分子式
- C17H27N6S.CH3O4S
- 平均分子量
- 458.6 g/mol
- 単同位体質量
- 458.17699581
名称と識別子
- 優先名称
- 5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate
- IUPAC
- 5-[[4-(dimethylamino)phenyl]diazenyl]-4-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-4-ium-2-amine;methyl sulfate
- 現地名
- 5-[ビス(1-メチルエチル)アミノ]-2-[[4-(ジメチルアミノ)フェニル]アゾ]-3-メチル-1,3,4-チアジアゾール-3-イウム・メチルスルファート
- 英語名
- 5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium methyl sulphate
- 分子式
- C18H30N6O4S2
- 分子量
- 458.5986
名称と別名
EINECS 281-589-35-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate1,3,4-Thiadiazolium, 5-[bis(1-methylethyl)amino]-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-, methyl sulfate1,3,4-Thiadiazolium, 5-(bis(1-methylethyl)amino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-, methyl sulfate1,3,4-Thiadiazolium, 5-(bis(1-methylethyl)amino)-2-(2-(4-(dimethylamino)phenyl)diazenyl)-3-methyl-, methyl sulfate (1:1)5-(Diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium methyl sulphate1,3,4-Thiadiazolium, 5-[bis(1-methylethyl)amino]-2-[2-[4-(dimethylamino)phenyl]diazenyl]-3-methyl-, methyl sulfate (1:1)RefChem:5311851,3,4-Thiadiazolium, 5-bis(1-methylethyl)amino-2-4-(dimethylamino)phenylazo-3-methyl-, methyl sulfate281-589-383969-12-45-(Diisopropylamino)-2-4-(dimethylamino)phenylazo-3-methyl-1,3,4-thiadiazolium (methyl sulphate)
名称をさらに表示
5-[ビス(1-メチルエチル)アミノ]-2-[[4-(ジメチルアミノ)フェニル]アゾ]-3-メチル-1,3,4-チアジアゾール-3-イウム・メチルスルファート
物性
構造計算による物性
- 極性表面積
- 151 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 10
- 回転可能結合数
- 6
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 489
物理化学的性質
- 比重(密度)
- 1.379 · 1.379[at 20℃]
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 水溶解度
- 25.22 g/L · 25.22g/L at 20℃
- LogP
- -0.399 at · -0.399 at 20℃
- EPAの化学物質情報
- 1 · 1,3,4-Thiadiazolium, 5-[bis(1-methylethyl)amino]-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-, methyl sulfate (83969-12-4)
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 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: 1,3,4-Thiadiazolium, 5-[bis(1-methylethyl)amino]-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-, methyl sulfate
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium methyl sulphate (EC: 281-589-3)
1,3,4-Thiadiazolium, 5-bis(1-methylethyl)amino-2-4-(dimethylamino)phenylazo-3-methyl-, methyl 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.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing Information1,3,4-Thiadiazolium, 5-[bis(1-methylethyl)amino]-2-[2-[4-(dimethylamino)phenyl]diazenyl]-3-methyl-, methyl sulfate (1:1): ACTIVE
サプライヤー2 社
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
関連反応
0 件
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化合物ノート
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