基本情報
- 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
名称をさらに表示
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
- 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
Cosmetics
Cosmetic ingredients (4-Chloro-2-Aminophenol) -> CIR (Cosmetic Ingredient Review)
Hair dyeing
LogP
1.24
1.81
Solubility
less than 1 mg/mL at 68 °F (NTP, 1992)
Solubility in water, g/l at 26 °C: 3 (slightly soluble)
Melting Point
284 to 286 °F (decomposes) (NTP, 1992)
140 °C
Vapor Pressure
0.00141 [mmHg]
Vapor pressure, Pa at 25 °C: 0.2
Physical Description
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.
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
安全と法規制
GHS分類
GHS Classification
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
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.)
Fire Hazards
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
Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin.
安全と保護具
Fire Fighting
Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Use water spray, foam, powder, carbon dioxide.
First Aid Measures
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
· 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
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:
Spillage Disposal
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
Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Immediate precautionary measure
毒性情報
Toxicity Summary
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
See Effects of short-term exposure.
Redness.
Redness.
Carcinogen Classification
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
化学と産業
用途と製造
Uses
CIR ingredient: 4-Chloro-2-Aminophenol
Used as an intermediate; [NTP]
応用分野
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.
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