基本情報
- 標準SMILES
CC1(C)Nc2cccc3c(N=Nc4ccc(N=Nc5ccccc5)c5ccccc45)ccc(c23)N1- InChIKey
YCUVUDODLRLVIC-UHFFFAOYSA-N- 分子式
- C29H24N6
- 平均分子量
- 456.5 g/mol
- 単同位体質量
- 456.20624477
概要
Sudan black B is a member of the class of perimidines that is 2,2-dimethyl-2,3-dihydro-1H-perimidine carrying a [4-(phenyldiazenyl)naphthalen-1-yl]diazenyl substituent at position 6. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections and for staining of protein bound lipids in paraffin sections. It has a role as a histological dye. It is a member of azobenzenes, a member of perimidines and a bis(azo) compound.
名称と識別子
- 優先名称
- Sudan Black B
- IUPAC
- (2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene
- 現地名
- ズダン ブラック B
- 英語名
- Solvent Black 3
- 分子式
- C29H24N6
- 分子量
- 456.54
名称と別名
名称をさらに表示
データベース識別子
- CAS
4197-25-5- PubChem CID
- 61336
- DTXSID
DTXSID0052091- ChEMBL
CHEMBL1872445- ChEBI
CHEBI:88216- UNII
- 9YDL1Q990E
- EC Number
- 224-087-1
- Nikkaji
- J34.104E
物性
構造計算による物性
- XLogP
- 8.4
- 極性表面積
- 73.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 6
- 回転可能結合数
- 4
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 773
実験および物理化学的性質
物理化学的性質
- 融点
- 120 · 120-124 °C(lit.)
- 沸点
- 552.68 °C · 552.68°C (rough estimate)
- 比重(密度)
- 1.4899 · 1.4899 (rough estimate)
- 屈折率
- 1.457 · 1.4570 (estimate)
- 貯蔵温度
- Store at RT.
- 溶解性
- 水に不溶、エタノール、アセトン、ベンゼン、トルエン、キシレン、エチレングリコールに可溶
- 酸解離定数(Pka)
- 2.94 · 2.94±0.40(Predicted)
- 外見
- 粉体・固形
- 色
- 非常に濃い茶色から黒
- 水溶解度
- 油、脂肪、温ワセリン、パラフィン、フェノール、エタノール、アセトン、ベンゼン、トルエン、炭化水素に可溶。水に溶けません。
- Merck
- 13 · 13,8970
- BRN
- 723248 · 723248
- 安定性
- 光に敏感
- 主な用途
- 診断アッセイの製造血液学組織学
- 化粧品成分の機能
- ヘアカラーリング
- InChI
- 1S/C29H24N6/c1-29(2)30-26-14-8-13-22-25(17-18-27(31-29)28(22)26)35-34-24-16-15-23(20-11-6-7-12-21(20)24)33-32-19-9-4-3-5-10-19/h3-18,30-31H,1-2H3/b33-32+,35-34+
- InChIKey
- YCUVUDODLRLVIC-VPHDGDOJSA-N
- SMILES
- CC1(C)Nc2cccc3c(ccc(N1)c23)\N=N\c4ccc(\N=N\c5ccccc5)c6ccccc46
- CAS データベース
- 4197 · 4197-25-5(CAS DataBase Reference)
- EPAの化学物質情報
- 3 · C.I. Solvent Black 3 (4197-25-5)
化学的性質
化学的特性It is a very dark brown to black fine crystalline powder. It is soluble in ethanol, toluene, acetone, and other solvents. In concentrated sulfuric acid, it is violet-black; when diluted, it is dark greenish-blue and produces a blue to black precipitate. The ethanol solution of the dye is bluish-black when concentrated hydrochloric acid is added and dark blue when concentrated sodium hydroxide solution is added.
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 8.2% (182 of 2225) of reports.
Warning
H341 (90.7%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2225 reports by companies from 6 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 1H-Perimidine, 2,3-dihydro-2,2-dimethyl-6-[[4-(phenylazo)-1-naphthalenyl]azo]-
1H-Perimidine, 2,3-dihydro-2,2-dimethyl-6-4-(phenylazo)-1-naphthalenylazo-: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SD4431500
- 毒性
- LD50 ivn-mus: 63 mg/kg CSLNX* NX#04918
- hs_code
- 32041900
- risk_code
- 11-36/37/38
- 化審法
- (5)-3141
- hazard_code
- F,Xi
- safety_code
- 24/25-16-37/39-26
- hazard_class
- IRRITANT
- Hazard Classifications
- Muta. 2
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
用途と製造
Uses
Composed of 2 major blue components, SBB-I and SBB-II (defined by this CAS# and name), and at least 12 minor components; Used as a biological stain for lipids; [Merck Index] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
応用分野
使用Sudan Black is a basic black dye that is used in staining triglycerides and lipids off some lipoproteins. Biological stain. Dyes and metabolites, Environmental Testing.
調製方法
製造方法aniline diazotization, and Naphthalen-1-amine coupling, and its product to diazotization, and 2,2-Dimethyl-2,3-dihydro-1H-perimidinecoupling.
上流・下流製品情報
上流原料
サプライヤー50 社
補足説明
定義ChEBI: Sudan black B is a member of the class of perimidines that is 2,2-dimethyl-2,3-dihydro-1H-perimidine carrying a [4-(phenyldiazenyl)naphthalen-1-yl]diazenyl substituent at position 6. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections and for staining of protein bound lipids in paraffin sections. It has a role as a histological dye. It is a member of azobenzenes, a bis(azo) compound and a member of perimidines.
関連反応
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