CAS 12223-33-5 Disperse Orange 37 (HCID 83322)

基本情報

CAS: 12223-33-5
標準SMILES: CCN(CCC#N)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1
InChIKey: KHZRTXVUEZJYNE-UHFFFAOYSA-N
分子式: C17H15Cl2N5O2
平均分子量: 392.2 g/mol
単同位体質量: 391.06028008

名称と識別子

優先名称: Disperse Orange 37
IUPAC: 3-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propanenitrile
英語名: Disperse Orange 37
分子式: C17H15Cl2N5O2
分子量: 392.245

名称と別名

Disperse Orange 3713301-61-6C.I. Disperse Orange 37Disperse Orange 76C.I. Disperse Orange 76Disperse Orange 59EINECS 236-325-1CCRIS 9043DTXSID904453812223-33-5C.I. Disperse Orange 59F0AEY2096I

名称をさらに表示

DTXCID70245383-(p-((2,6-Dichloro-4-nitrophenyl)azo)-N-ethylanilino)propionitrile3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propanenitrile3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]propiononitrilePropanonitrile, 3-(ethyl(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propiononitrilePropanenitrile, 3-((4-(2-(2,6-dichloro-4-nitrophenyl)diazenyl)phenyl)ethylamino)-Propanenitrile, 3-[[4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-

データベース識別子

CAS: 12223-33-5、13301-61-6
PubChem CID: 83322
DTXSID: DTXSID9044538
ChEMBL: CHEMBL3186380
UNII: F0AEY2096I
EC Number: 236-325-1、602-312-8
Nikkaji: J213.820D

物性

構造計算による物性

XLogP: 5
極性表面積: 97.6 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 6
重原子数: 26
形式電荷: 0
複雑度: 527

実験および物理化学的性質

Collision Cross Section197.9 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9044538]

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 10.6% (5 of 47) of reports.

Warning

H317 (89.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

Chemical: Propanenitrile, 3-[[4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-

Propanenitrile, 3-4-(2,6-dichloro-4-nitrophenyl)azophenylethylamino-: 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 CategoriesSkin Sens. 1 (89.4%)

化学と産業

用途と製造

UsesSubstance listed with specific concentration in tattoo ink and/or permanent make up according to EU Commission Regulation 2020/2081. The concentration limit (by weight) is 0.1%.

General Manufacturing InformationPropanenitrile, 3-[[4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-: ACTIVE

上流・下流製品情報

上流原料

4-ニトロアニリン

サプライヤー54 社

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

江苏智芯廷科技有限公司18221391031 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

化合物ノート

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