ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /化合物

2-アミノ-4-クロロフェノール

2-Amino-4-chlorophenol

HCID 7265
ノートを作成反応を作成見積依頼を出す
印刷プレビュー

データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます

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
部分構造検索類似構造を探す

基本情報

CAS
95-85-2
標準SMILES
Nc1cc(Cl)ccc1O
InChIKey
SWFNPENEBHAHEB-UHFFFAOYSA-N
分子式
C6H6ClNO
平均分子量
143.57 g/mol
単同位体質量
143.01379149

概要

2-Amino-4-Chlorophenol can cause cancer according to California Labor Code.

名称と識別子

優先名称
2-Amino-4-chlorophenol
IUPAC
2-amino-4-chlorophenol
現地名
2-アミノ-4-クロロフェノール
英語名
2-Amino-4-chlorophenol
分子式
C6H6ClNO
分子量
143.57

名称と別名

2-Amino-4-chlorophenol95-85-25-CHLORO-2-HYDROXYANILINE4-Chloro-2-aminophenolPhenol, 2-amino-4-chloro-Fouramine PY2-Hydroxy-5-chloroanilinep-Chloro-o-aminophenolC.I. Oxidation Base 18C.I. 76525DTXSID50244732Z43LEA3DX
名称をさらに表示
2-アミノ-4-クロロフェノール2アミノ4クロロフェノ-ル2-アミノ-4-クロロフェノール 塩化物5-クロロ-2-ヒドロキシアニリン2 アミノ-4-クロロフェノール4-クロロ-2-アミノフェノール2-ヒドロキシ-5-クロロアニリンC.I.オキシデーションベース18Chlorzoxazone Related CoMpound Ac.i.76525fouraminepy2-AMino-4-chloc.i.oxidationbase18TIMTEC-BB SBB007588
RODOL PYNSC-247814O-AMINO-P-CHLOROPHENOLDTXCID504473aminochlorophenolRefChem:85194202-458-92-amino-4-chloro-phenol

データベース識別子

CAS
95-85-2
PubChem CID
7265
DTXSID
DTXSID5024473
ChEMBL
CHEMBL251389
UNII
2Z43LEA3DX
EC Number
202-458-9
Nikkaji
J31.070K

物性

構造計算による物性補完中

XLogP
1.8
極性表面積
46.3 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
0
重原子数
9
形式電荷
0
複雑度
99.1

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amino Phenols
Cosmetics · 2 件

Cosmetic ingredients (4-Chloro-2-Aminophenol) -> CIR (Cosmetic Ingredient Review)

Hair dyeing

LogP · 2 件

1.24

1.81

Solubility · 2 件

less than 1 mg/mL at 68 °F (NTP, 1992)

Solubility in water, g/l at 26 °C: 3 (slightly soluble)

Flash Point170 °C
Decomposition170 °C
Melting Point · 2 件

284 to 286 °F (decomposes) (NTP, 1992)

140 °C

Vapor Pressure · 2 件

0.00141 [mmHg]

Vapor pressure, Pa at 25 °C: 0.2

Physical Description · 3 件

2-Amino-4-chlorophenol is a light brown colored crystalline solid. It may be toxic by ingestion. It is insoluble in water. It is used to make other chemicals.

Brown solid; [ICSC] Brown powder; [Alfa Aesar MSDS]

BROWN CRYSTALLINE POWDER WITH CHARACTERISTIC ODOUR.

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

This chemical does not meet GHS hazard criteria for 15.5% (15 of 97) of reports.

Warning

H302 (84.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 97 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

危険有害性情報

Regulatory Information · 5 件

Chemical: Phenol, 2-amino-4-chloro-

Hazard Traits - Carcinogenicity

Status: Active Update: 23-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10289

4-Chloro-2-aminophenol: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationIMAP assessments - Phenol, 2-amino-4-chloro-: Environment tier I assessment
DOT LabelPoison
Fire Hazards · 3 件

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.

Combustible. Gives off irritating or toxic fumes (or gases) in a fire.

Health Hazards · 2 件

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin.

化学と産業

用途と製造

Uses · 2 件

CIR ingredient: 4-Chloro-2-Aminophenol

Used as an intermediate; [NTP]

Use ClassificationCosmetics -> Hair dyeing
General Manufacturing InformationPhenol, 2-amino-4-chloro-: ACTIVE
応用分野 · 4 件

用途染料中間体

用途有機合成原料。

使用Intermediate.

一般的な説明5-Chloro-2-hydroxyaniline is a light brown colored crystalline solid. 5-Chloro-2-hydroxyaniline may be toxic by ingestion. 5-Chloro-2-hydroxyaniline is insoluble in water. 5-Chloro-2-hydroxyaniline is used to make other chemicals.

上流・下流製品情報

上流原料

Nitrobenzenechloroazobenzene4-クロロ-2-ニトロフェノール

下流製品

C.I.アシッドレッド2111-フェニル-5-メルカプト-1H-テトラゾール(R)-5-クロロ-2-(5-メチル-1,4-ジアゼパン-1-イル)ベンゾ[D]オキサゾール

関連反応

103 件
反応記録を作成
HRID 7772 の反応式
HRID 7772反応物としてuspto-grants-2006_08
HRID 29857 の反応式
HRID 29857反応物としてuspto-grants-2008_09
HRID 61517 の反応式
HRID 61517反応物としてuspto-grants-2016_09
HRID 70123 の反応式
HRID 70123反応物としてuspto-grants-2014_09
HRID 74208 の反応式
HRID 74208反応物としてuspto-grants-2014_09
HRID 74282 の反応式
HRID 74282反応物としてuspto-grants-2014_09
HRID 106609 の反応式
HRID 106609反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 110796 の反応式
HRID 110796反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
1 / 13 ページ

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
Autoignition Temperature500 °C

物理化学的性質

融点
136 · 136-141 °C(lit.)
沸点
185.5 °C · 185.5°C (rough estimate)
比重(密度)
1.2028 · 1.2028 (rough estimate)
屈折率
1.5618 · 1.5618 (estimate)
貯蔵温度
2 · 2-8°C
溶解性
2.3 g/リットル · 2.3g/リットル
酸解離定数(Pka)
9.31 · 9.31±0.18(Predicted)
外見
個体
色
淡いオレンジ色から薄茶色
水溶解度
0.1 g/100 · 不溶。 <0.1 g/100 mL で 20 ºC
BRN
774859 · 774859
安定性
安定。強力な酸化剤とは相容れない。
化粧品成分の機能
ヘアカラーリング
InChI
1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
InChIKey
SWFNPENEBHAHEB-UHFFFAOYSA-N
SMILES
Nc1cc(Cl)ccc1O
CAS データベース
95 · 95-85-2(CAS DataBase Reference)
NISTの化学物質情報
5 · 5-Chloro-2-hydroxyaniline(95-85-2)
EPAの化学物質情報
2 · 2-Amino-4-chlorophenol (95-85-2)

化学的性質

化学的特性2-Amino-4-chlorophenol is a grayish to light brown crystalline solid or powder

Hazards SummaryCauses contact dermatitis. [ChemIDplus] May cause skin sensitization; [ICSC] A skin, eye, and mucous membrane irritant; [NTP] A skin and strong eye irritant; May induce methemoglobinemia; Toxic by ingestion; [Alfa Aesar MSDS]
DOT ID and Guide2673 151
Reactive GroupPhenols and Cresols
UN ClassificationUN Hazard Class: 6.1; UN Pack Group: II
Reactivity Profile2-AMINO-4-CHLOROPHENOL may react with strong oxidizing agents. (NTP, 1992)
Chemical DangersDecomposes on heating and on burning. This produces toxic and corrosive fumes including hydrogen chloride and nitrogen oxides. Reacts with oxidants.
Packaging and LabellingDo not transport with food and feedstuffs.

安全と保護具

Fire Fighting · 2 件

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

Use water spray, foam, powder, carbon dioxide.

First Aid Measures · 4 件

Fresh air, rest. Seek medical attention if you feel unwell.

Wear protective gloves when administering first aid. Remove contaminated clothes. Rinse and then wash skin with water and soap.

Rinse with plenty of water for several minutes (remove contact lenses if easily possible).

Rinse mouth. Refer for medical attention .

Accidental Release Measures · 2 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.

First Aid · 2 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.

General First Aid:

Safe StorageSeparated from oxidants and food and feedstuffs.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Spillage Disposal · 1 件

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance, protective clothing and protective gloves. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

Isolation and Evacuation · 2 件

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

Immediate precautionary measure

Eye PreventionWear safety goggles.
Fire PreventionNO open flames.
Inhalation RiskA nuisance-causing concentration of airborne particles can be reached quickly when dispersed, especially if powdered.

毒性情報

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Exposure RoutesThe substance can be absorbed into the body by inhalation and by ingestion.
Toxicity Summary · 2 件

The CIR Expert Panel concludes that the available data support the safety of 6-Amino-m-Cresol, 4-Amino-m-Cresol, 5-Amino-4-Chloro-o-Cresol and 5-Amino-6-Chloro-o-Cresol as used in oxidative and nonoxidative (semipermanent) for dyes. The available data also support the safety of 6-Amino-o-Cresol and 4-Chloro-2-Aminophenol for use in oxidative hair dyes, but are insufficient to support the safety of 6-Amino-o-Cresol and 4-Chloro-2-Aminophenol and nonoxidative (semipermanent) hair dyes.

Safe for use in cosmetics, with qualifications

Signs and Symptoms · 3 件

See Effects of short-term exposure.

Redness.

Redness.

ICSC Environmental DataEnvironmental effects from the substance have not been investigated adequately.
Carcinogen Classification · 5 件

2-Amino-4-chlorophenol

Group 2B: Possibly carcinogenic to humans

Volume 123: (2020) Some Nitrobenzenes and Other Industrial Chemicals

2020 online

2018

安全データ

wgk
3
tsca
TSCA listed
rtecs
SJ5700000
ridadr
UN 2673
hs_code
29222900
risk_code
22-36/37/38-20/21/22
化審法
(3)-906
安衛法
変異原性物質
hazard_code
Xn
safety_code
26-36-36/37/39
hazard_class
6.1
packing_group
II
Hazard Classifications
Acute Tox. 4 OralCarc. 2
ストレージクラス
6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
危険度評価（NFPA 704基準/消防庁データ）
人的[青]=1
2-アミノ-4-クロロフェノール-6-スルホン酸
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(3H)-benzoxazolone
2,5-ジクロロ-1,3-ベンズオキサゾール
Acid Black 181
サンクロミン ファスト ブルー MB
Chromate,bis[4-[[3-[(5-chloro-2-hydroxyphenyl)azo]-2,4-dihydroxyphenyl]azo]-3-hydroxy-7-nitro-1-naphthalenesulfonato]-,disodium hydrogen
5-[(5-クロロ-2-ヒドロキシフェニル)アゾ]-4,6-ジヒドロキシ-2-ナフタレンスルホン酸ナトリウム
5-(アセチルアミノ)-3-[(5-クロロ-2-ヒドロキシフェニル)アゾ]-4-ヒドロキシ-2,7-ナフタレンジスルホン酸二ナトリウム
Chromate(1-), [5-[[5-chloro-2-(hydroxy-κO)phenyl]azo-κN1]-4-hydroxy-6-(hydroxy-κO)-2-naphthalenesulfonato(3-)]hydroxy-, sodium
5-アミノ-3-[(5-クロロ-2-ヒドロキシフェニル)アゾ]-4-ヒドロキシ-2,7-ナフタレンジスルホン酸二ナトリウム
C.I.アシッドレッド211
Solvent Red 243
Solvent Violet 58
3-[(5-クロロ-2-ヒドロキシフェニル)アゾ]-4-ヒドロキシ-1-ナフタレンスルホン酸ナトリウム
Acid Black 102