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3,3'-ジアミノベンジジン·4塩酸塩

3,3'-Diaminobenzidine tetrahydrochloride

HCID 23892
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
7411-49-6
標準SMILES
Cl.Cl.Cl.Cl.Nc1ccc(-c2ccc(N)c(N)c2)cc1N
InChIKey
KJDSORYAHBAGPP-UHFFFAOYSA-N
分子式
C12H14N4.4ClH
平均分子量
360.1 g/mol
単同位体質量
358.028557

概要

See also: 3,3-Diaminobenzidine tetrahydrochloride (annotation moved to).

名称と識別子

優先名称
3,3'-Diaminobenzidine tetrahydrochloride
IUPAC
4-(3,4-diaminophenyl)benzene-1,2-diamine;tetrahydrochloride
現地名
3,3'-ジアミノベンジジン·4塩酸塩
英語名
3,3',4,4'-Biphenyltetramine tetrahydrochloride
分子式
C12H18Cl4N4
分子量
360.11

名称と別名

7411-49-63,3'-DIAMINOBENZIDINE TETRAHYDROCHLORIDE3,3',4,4'-Tetraaminobiphenyl tetrahydrochloride3,3'-Diaminobenzidine hydrochloride[1,1'-Biphenyl]-3,3',4,4'-tetramine, tetrahydrochloride3,3'-Diammoniumbenzidinium tetrachlorideDTXSID7021312HSDB 50793,3',4,4'-Biphenyltetramine, tetrahydrochlorideEINECS 231-018-9NSC 75650UNII-26I0SJP460
名称をさらに表示
3,3'-ジアミノベンジジン·四塩酸3,3',4,4'-テトラアミノビフェニル·4塩酸塩1,1'-ビフェニル-3,3',4,4'-テトラアミン·4塩酸塩3,3-ジアミノベンジジン四塩酸塩3,3-ジアミノベンジジン·四塩酸塩3,3'-ジアミノベンジジン·四塩酸塩3,3'-ジアミノベンジジン·4塩酸塩3,3′‐ジアミノベンジジン·四塩酸塩3,3′-ジアミノベンジジン四塩酸塩二水和物3,3'-ジアミノベンジジンテトラヒドロクロリド3,3′‐ジアミノベンジジン四塩酸塩(四塩酸3,3′‐ジアミノベンジジン)DAB, テトラハイドロスロリド3,3',4,4'-ビフェニルテトラミン四塩酸塩3,3'-ジアミノベンジジン四塩酸塩3,3'-ジアミノベンジジン, 四塩酸塩DAB錠(3,3'-ジアミノベンシジン四塩酸塩5MG/錠)DAB錠四塩酸3,3'-ジアミノベンジジンDABトリス錠, PH7.63,3′-ジアミノベンジジン (DAB) 液体基質ドロッパーシステムDABDAB SUBSTRATEDAB-HCLDAB 4HCLDAB, 50XDAB 3HClDAB TABLETDAB anhydrousDAB EASY tabletsDAB TETRAHYDROCHLORIDE
3,3'-Diaminobenzidine, tetrahydrochloride26I0SJP460(1,1'-Biphenyl)-3,3',4,4'-tetramine, tetrahydrochloride3,3'Diaminobenzidine4HClDTXCID801312(1,1'-Biphenyl)-3,3',4,4'-tetramine, hydrochloride (1:4)NSC-756503,4,3',4'-TETRAAMINOBIPHENYL TETRAHYDROCHLORIDE

データベース識別子

CAS
7411-49-6
PubChem CID
23892
DTXSID
DTXSID7021312
ChEMBL
CHEMBL3189086
UNII
26I0SJP460
EC Number
231-018-9、680-650-5

物性

構造計算による物性

極性表面積
104 Ų
水素結合供与体数
8
水素結合受容体数
4
回転可能結合数
1
重原子数
20
形式電荷
0
複雑度
209

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Benzidine and Derivatives
Color/FormSolid
DecompositionWhen heated to decomp it emits very toxic fumes of /hydrochloric acid & nitrogen oxides/.
Melting Point178-180 °C
Physical DescriptionSolid; [HSDB] Grey to purple-brown powder; [MSDSonline]

物理化学的性質

融点
300 °C · 300°C
貯蔵温度
2 · 2-8°C
溶解性
DMSO(微量)、メタノール(微量)、水(微量)
外見
錠剤
色
クリスタル
PH
pH(25℃) : 7.4~7.8
水溶解度
溶ける
BRN
1212988 · 1212988
安定性
吸湿性
InChI
InChI=1S/C12H14N4.4ClH/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8;;;;/h1-6H,13-16H2;4*1H
InChIKey
KJDSORYAHBAGPP-UHFFFAOYSA-N
SMILES
C1(C2=CC=C(N)C(N)=C2)=CC=C(N)C(N)=C1.[H]Cl.[H]Cl.[H]Cl.[H]Cl
CAS データベース
7411 · 7411-49-6(CAS DataBase Reference)
EPAの化学物質情報
1 · [1,1'-Biphenyl]-3,3',4,4'-tetramine, tetrahydrochloride (7411-49-6)

化学的性質

化学的特性Grey Solid

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 · 6 件

Danger

H341 (98%): 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 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

危険有害性情報

Regulatory Information · 2 件

Chemical: [1,1'-Biphenyl]-3,3',4,4'-tetramine, tetrahydrochloride

[1,1'-Biphenyl]-3,3',4,4'-tetramine, tetrahydrochloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; [MSDSonline] Could be carcinogenic for man but not conclusive because of insufficient data (3B); [MAK] See Benzidine.
Hazard Classes and Categories · 2 件

Muta. 2 (98%)

Acute Tox. 4 (100%)

安全と保護具

Disposal Methods · 1 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Preventive Measures · 1 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

毒性情報

Non-Human Toxicity Excerpts · 1 件

The relationship between the structure and mutagenicity of benzidine analogs was examined. The mutagenic activities of benzidine, benzidine dihydrochloride, and their analogs, 3,3'-diaminobenzidine, 3,3'-dichlorobenzidine, 3,3'-dimethoxybenzidine, 3,3'-dimethoxybenzidine dihydrochloride, and N,N,N',N'-tetramethylbenzidine, were evaluated in the Ames assay. Salmonella strains (TA-100) and (TA-98) were used, with or without metabolic activation by liver S9 mix from male Sprague-Dawley rats induced with aroclor-1254. In the absence of S9 mix only 3,3'-dichlorobenzidine in strain TA-98 showed significant mutagenic activity. In the presence of S9 mix all compounds except N,N,N',N'-tetramethylbenzidine were mutagenic in strain TA-100. Bridged diphenyl compounds showed mutagenicity equal to or greater than that of the parent compound, benzidine. In strain TA-98 biphenyl compounds were more mutagenic than the bridged diphenyl compounds. No significant differences in mutagenicity were seen between the free base and dihydrochloride salt forms of benzidine or its dimethoxy analog. Compounds capable of inducing frame shift mutations must have a planar aromatic moiety and an activated electrophilic side chain, and mutagenicity in this series of compounds increases with decreasing basicity of the aniline moiety.

Antidote and Emergency Treatment · 2 件

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/

Non-Human Toxicity ValuesLD50 Mouse ip 330 mg/kg

安全データ

F
3-8-10
wgk
3
tsca
TSCA listed
rtecs
DV8753000
ridadr
UN 3316 9/PG 2
毒性
LD50 ipr-mus: 330 mg/kg NCIBR* NIH-NCI-E-68-1311,10,73
hs_code
29215900
risk_code
23/24/25-36/38-39/23/24/25-40-20/21/22-68-45-51/53-42/43-60-61
hazard_code
F,T,Xn,N
safety_code
7-16-24-33-36/37-45-24/25-22-36/37/39-53-61
Hazard Classifications
Acute Tox. 4 OralCarc. 1BEye Irrit. 2Muta. 2
ストレージクラス
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
有毒物質データの
7411-49-6(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 2 件

Used in colorimetric assays for peroxidase activity and to make polybenzimidazole fibers; [HSDB]

REAGENT IN COLORIMETRIC ASSAY FOR PEROXIDASE ACTIVITY; CHEM INT FOR POLYBENZIMIDAZOLE FIBERS (FREE BASE) /FORMER USE/

U.S. Production · 2 件

(1977) NOT PRODUCED COMMERCIALLY IN US

(1979) NOT PRODUCED COMMERCIALLY IN US

Consumption PatternsESSENTIALLY 100% AS A RESEARCH CHEMICAL
General Manufacturing Information[1,1'-Biphenyl]-3,3',4,4'-tetramine, hydrochloride (1:4): ACTIVE
応用分野 · 5 件

用途免疫組織染色法におけるPODの発色試薬。

用途DAB溶液の調製。

用途免疫組織染色におけるPODの発色基質。

使用A substrate for peroxidase, and a reagent for the spectrophotometric determination of selenium

一般的な説明3,3′-Diaminobenzidine (DAB) is a chromogenic substrate for peroxidase enzyme. It is converted to an insoluble precipitate after oxidation by peroxidase.

調製方法

純化方法Dissolve the salt in water and precipitate it by adding conc HCl, then drying it over solid NaOH. [Beilstein 13 IV 530.]

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