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アミドール

2,4-Diaminophenol hydrochloride

HCID 8715
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印刷プレビュー
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
137-09-7
標準SMILES
Cl.Cl.Nc1ccc(O)c(N)c1
InChIKey
KQEIJFWAXDQUPR-UHFFFAOYSA-N
分子式
C6H8N2O.2ClH
平均分子量
197.06 g/mol
単同位体質量
196.0170183

概要

Grayish-white crystals. (NTP, 1992)

名称と識別子

優先名称
2,4-Diaminophenol hydrochloride
IUPAC
2,4-diaminophenol;dihydrochloride
現地名
アミドール
英語名
2,4-Diaminophenol dihydrochloride
分子式
C6H10Cl2N2O
分子量
197.06

名称と別名

2,4-DIAMINOPHENOL DIHYDROCHLORIDEAcrol2,4-Diaminophenol hydrochloridePhenol, 2,4-diamino-, dihydrochloride2,4-Diaminophenol HClDiamidophenol hydrochloridePhenol, 2,4-diamino-, hydrochloride (1:2)DTXSID9020401RODOL 24DAPCNCI-C60026T1IYY101NXDTXCID70401
名称をさらに表示
アミドール2,4-ジアミノフェノール·2塩酸塩2,4-ジアミノフェノール·二塩酸塩2,4-ジアミノフェノル ジヒドロクロライドアミド-ル2,4-ジアミノフェノール二塩酸塩2,4‐ジアミノフェノール二塩酸塩 (別名アミドール)2,4‐ジアミノフェノール二塩酸塩(二塩酸2,4‐ジアミノフェノール)2,4-ジアミノフェノール 二塩酸塩2,4-ジアミノフェノール二塩酸塩, 100 µg/mL in MeOH2,4-ジアミノフェノール・塩酸塩2,4-ジアミノフェノール二塩酸塩(二塩酸2,4-ジアミノフェノール)2,4-DIAMINOPHENOL 2HCLDiamolAmidol >Amidol, ≥ 97.0%AMidol , 98.0%(T)
NSC-1536RefChem:908739205-279-4137-09-7AmidolDianol2,4-Diaminophenol.2HClMFCD00012979

データベース識別子

CAS
137-09-7
PubChem CID
8715
DTXSID
DTXSID9020401
ChEMBL
CHEMBL3181794
UNII
T1IYY101NX
EC Number
205-279-4

物性

構造計算による物性

極性表面積
72.3 Ų
水素結合供与体数
5
水素結合受容体数
3
回転可能結合数
0
重原子数
11
形式電荷
0
複雑度
97.1

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amino Phenols
Cosmetics · 3 件

Cosmetic ingredients (2,4-Diaminophenol Dihydrochloride) -> CIR (Cosmetic Ingredient Review)

Cosmetic ingredients (2,4-Diaminophenol HCl) -> CIR (Cosmetic Ingredient Review)

Hair dyeing

Color/Form · 2 件

GRAYISH-WHITE CRYSTALS

NEEDLES

Solubility · 3 件

greater than or equal to 100 mg/mL at 74.3 °F (NTP, 1992)

27.5 G/100 ML WATER @ 15 °C; SLIGHTLY SOL IN ALCOHOL

SLIGHTLY SOL IN ETHER

Melting Point · 2 件

432 °F (decomposes) (NTP, 1992)

205 °C

Physical Description · 2 件

Grayish-white crystals. (NTP, 1992)

Grayish-white solid; [HSDB] Slightly gray crystalline solid; [MSDSonline]

物理化学的性質

融点
222 °C · 222 °C (dec.)(lit.)
比重(密度)
1.3457 · 1.3457 (rough estimate)
屈折率
1.568 · 1.5680 (estimate)
貯蔵温度
30 °C · Store below +30°C.

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

H301 (96.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

危険有害性情報

Regulatory Information · 2 件

Chemical: Phenol, 2,4-diamino-, hydrochloride (1:2)

4-Hydroxy-1,3-phenylenediammonium dichloride: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Phenol, 2,4-diamino-, dihydrochloride: Human health tier II assessment
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this chemical may include hematurea, local irritation, and allergic reactions.
Hazards Summary · 1 件

Limited evidence of mutagenicity and carcinogenicity in male mice; No evidence of carcinogenicity in female mice or male and female rats; Emergency treatment: Paraphenylenediamine; In sensitized individuals, paraphenylenediamine may cause allergic contact dermatitis following application as a hair dye and asthma following inhalation; Following ingestion, can cause angioneurotic edema, methemoglobinemia, acute tubular necrosis, and hepatotoxicity; An adult died after ingestion of 3 grams of p-phenylenediamine; Another adult who ingested 1800 mg developed angioneurotic edema and acute renal failure; [HSDB] May cause irritation and allergic reactions; [CAMEO] Causes changes in liver and bladder weight, erythrocyte count, and levels of transaminases in high-dose feeding studies of mice; [RTECS] See p-Phenylenediamine.

化学と産業

用途と製造

Uses · 6 件

CIR ingredient: 2,4-Diaminophenol Dihydrochloride

CIR ingredient: 2,4-Diaminophenol HCl

Used as photographic developer, analytical reagent, and in fur and hair dyeing; [HSDB]

Photographic Processing [Category: Other]

AS PHOTOGRAPHIC DEVELOPER; IN FUR & HAIR DYEING; IN TEST FOR FORMALDEHYDE & AMMONIA

ANALYTICAL REAGENT

Methods of ManufacturingBY INTERACTION OF DINITROPHENOL WITH IRON & HYDROCHLORIC ACID.
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing InformationPhenol, 2,4-diamino-, hydrochloride (1:2): ACTIVE
応用分野 · 5 件

解説アミドール.写真現像薬の一種.2,4-ジアミノフェノールの塩酸塩.2,4-ジニトロフェノールを還元してつくる.無色の結晶.融点205 ℃.水に易溶.アルカリを含まない水溶液中でも還元性をもち,高温現象液に用いられるが,保存性がよくない.

用途還元剤、写真用現像薬。

用途写真の現像薬,毛髪?毛皮の染色用剤.硫酸塩も同様に用いられる、ホルムアルデヒド、アンモニアのテスト液

使用2,4-Diaminophenol dihydrochloride (Amidol) is used in the dye manufacturing industries and as a color accelerator in photographic developers. It is also employed as a pharmaceutical intermediate.

一般的な説明Grayish-white crystals.

上流・下流製品情報

上流原料

2,4-ジニトロフェノール (約20%水湿潤品)

下流製品

5-アミノ-2-(3-アミノフェニル)ベンゾキサゾール

関連反応

7 件
反応記録を作成
HRID 63025 の反応式
HRID 63025反応物としてuspto-grants-2016_09
HRID 63026 の反応式
HRID 63026反応物としてuspto-grants-2016_09
HRID 63027 の反応式
HRID 63027反応物としてuspto-grants-2016_09
HRID 63028 の反応式
HRID 63028反応物としてuspto-grants-2016_09
HRID 1886906 の反応式
HRID 1886906反応物としてuspto-grants-2013_08
HRID 1896738 の反応式
HRID 1896738反応物としてuspto-grants-2013_08
HRID 2285621 の反応式
HRID 2285621生成物としてuspto-grants-1982_04

化合物ノート

読み込み中…

このページの内容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
その他の操作
ノートを作成反応を作成見積依頼を出す
溶解性
275 g/リットル · 275g/リットル
外見
結晶性粉末
色
ベージュから灰緑色
PH
1 · 1-2 (50g/l, H2O, 20℃)
水溶解度
27.5 g/100mL · 27.5g/100mL(15℃)
Merck
14 · 14,2983
BRN
3913728 · 3913728
安定性
安定。強力な酸化剤、酸とは相容れない。熱と光に敏感。
化粧品成分の機能
ヘアカラーリング
InChI
1S/C6H8N2O.2ClH/c7-4-1-2-6(9)5(8)3-4;;/h1-3,9H,7-8H2;2*1H
InChIKey
KQEIJFWAXDQUPR-UHFFFAOYSA-N
SMILES
Cl.Cl.Nc1ccc(O)c(N)c1
CAS データベース
137 · 137-09-7(CAS DataBase Reference)
EPAの化学物質情報
2 · 2,4-Diaminophenol dihydrochloride (137-09-7)

化学的性質

化学的特性Grey white powder

Reactive GroupPhenols and Cresols
Special ReportsDHHS/NTP; Toxicology & Carcinogenesis Studies of 2,4-Diaminophenol Dihydrochloride in F344/N Rats and B6C3F1 Mice (Gavage Studies) Technical Report Series No. 401 (1992) NIH Publication No. 92-2856
Reactivity Profile2,4-DIAMINOPHENOL DIHYDROCHLORIDE is an acidic salt, and it may react with chemical bases to release heat.
Air and Water ReactionsWater soluble.
Hazard Classes and Categories · 3 件

Acute Tox. 3 (96.1%)

Acute toxicity (ingestion) - category 4

Acute toxicity (Oral) - Category 3

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

毒性情報

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Toxicity Summary · 4 件

On the basis of the data included in this report, the CIR Expert Panel concludes that 2,4-Diaminophenol and 2,4-Diaminophenol Dihydrochloride are safe for use in hair dyes at concentrations up to 0.2% (as the free base). 2009 RE-REVIEW - The Expert Panel noted that 2,4-Diaminophenol Dihydrochloride is now termed 2,4-Diaminophenol Hydrochloride.

Safe for use in cosmetics, with qualifications

On the basis of the data included in this report, the CIR Expert Panel concludes that 2,4-Diaminophenol and 2,4-Diaminophenol Dihydrochloride are safe for use in hair dyes at concentrations up to 0.2% (as the free base). 2009 RE-REVIEW - The Expert Panel noted that 2,4-Diaminophenol Dihydrochloride is now termed 2,4-Diaminophenol Hydrochloride.

Safe for use in cosmetics, with qualifications

Ongoing Test Status · 1 件

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=137-09-7]

Human Toxicity Excerpts · 1 件

SEE PHENYLENEDIAMINE. PRODUCES SEVERE LOCAL REACTIONS & SYSTEMIC EFFECTS FROM PERCUTANEOUS ABSORPTION & FROM INGESTION. LOCAL ACTIONS INCLUDE SEVERE DERMATITIS & URTICARIA; IN THE EYE, CHEMOSIS, LACRIMATION, EXOPHTHALMOS, OPHTHALMIA, & EVEN PERMANENT BLINDNESS. SYSTEMIC ACTIONS INCLUDE ASTHMA, GASTRITIS (REGARDLESS OF PORTAL OF ENTRY), RISE IN BLOOD PRESSURE, TRANSUDATION INTO SEROUS CAVITIES, VERTIGO, TREMORS CONVULSIONS, & COMA. /PHENYLENEDIAMINE/

Carcinogen Classification · 6 件

2,4-Diaminophenol Dihydrochloride

TR-401: NTP Technical Report on the Toxicology and Carcinogenesis Studies of 2,4-Diaminophenol Dihydrochloride (CASRN 137-09-7) in F344/N Rats and B6C3F1 Mice (Gavage Studies) (1992 )

03/11/91

No Evidence

No Evidence

Some Evidence

Non-Human Toxicity Excerpts · 3 件

2,4-DIAMINOPHENOL DIHYDROCHLORIDE HAS BEEN TESTED BY IRRIGATING A RABBIT EYE WITH 0.02 MOLAR (PH 5.3) AQUEOUS SOLUTION FOR 10 MINUTES, AFTER REMOVAL OF THE CORNEAL EPITHELIUM TO FACILITATE PENETRATION. THIS PRODUCED DARK BROWN STAINING OF THE CORNEAL STROMA, PERMANENT CORNEAL OPACIFICATION, & VASCULARIZATION.

2,4-Diaminophenol dihydrochloride was evaluated for its mutagenic potential in the L5178Y TK+/TK- mouse lymphoma forward mutation assay using established procedures. Three experiments were conducted without metabolic activation. The dose levels tested in these experiments ranged from 0-4 ug/ml. Results from one experiment were discarded; however, significant mutagenic responses were obtained in the remaining two. Thus, 2,4-Diaminophenol dihyrochloride was positive in these tests and the lowest effective dose tested was 2 ug/ml.

... Conclusions: Under the conditions of these 2 yr gavage studies, there was no evidence of carcinogenic activity of 2,4-diaminophenol dihydrochloride in male or female F344/N rats that received 12.5 or 25 mg/kg. There was some evidence of carcinogenic activity of 2,4-diaminophenol dihydrochloride in male B6C3F1 mice based on incr incidences of renal tubule adenomas; there was no evidence of carcinogenic activity of 2,4-diaminophenol dihydrochloride in female B6C3F1 mice that received 19 or 38 mg/kg.

National Toxicology Program Studies · 1 件

... Toxicology and carcinogenesis studies were conducted by administering 2,4-diaminophenol dihydrochloride (greater than 97% pure) in corn oil by gavage to F344/N rats and B6C3F1 mice for ... 2 years. ... 2 Yr Studies: The 2 yr studies were conducted by administering 2,4-diaminophenol dihydrochloride in corn oil by gavage to groups of 60 male and 60 female F344/N rats and B6C3F1 mice. ... Rats received doses of 0, 12.5, or 25 mg/kg; mice received doses of 0, 19, or 38 mg/kg. Conclusions: Under the conditions of these 2 yr gavage studies, there was no evidence of carcinogenic activity of 2,4-diaminophenol dihydrochloride in male or female F344/N rats that received 12.5 or 25 mg/kg. There was some evidence of carcinogenic activity of 2,4-diaminophenol dihydrochloride in male B6C3F1 mice based on incr incidences of renal tubule adenomas; there was no evidence of carcinogenic activity of 2,4-diaminophenol dihydrochloride in female B6C3F1 mice that received 19 or 38 mg/kg.

安全データ

wgk
3
tsca
TSCA listed
rtecs
SK7600000
ridadr
UN 2811 6.1/PG 3
毒性
LD50 orally in Rabbit: 240 mg/kg
hs_code
29222900
risk_code
22-36/37/38
化審法
(3)-2772
hazard_code
Xn,Xi
safety_code
26-36
hazard_class
6.1
packing_group
III
Hazard Classifications
Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
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
137-09-7(Hazardous Substances Data)
2-P-トリルベンゾオキサゾール-5-イルアミン
2-(4-ブロモフェニル)-1,3-ベンゾキサゾール-5-アミン