基本情報
- 標準SMILES
CC(=O)Nc1ccc(N)cc1- InChIKey
CHMBIJAOCISYEW-UHFFFAOYSA-N- 分子式
- C8H10N2O
- 平均分子量
- 150.18 g/mol
- 単同位体質量
- 150.07931294
概要
P-aminoacetanilide appears as white or slightly reddish solid. (NTP, 1992)
名称と識別子
- 優先名称
- 4-Aminoacetanilide
- IUPAC
- N-(4-aminophenyl)acetamide
- 現地名
- 4'-アミノアセトアニリド
- 英語名
- 4'-Aminoacetanilide
- 分子式
- C8H10N2O
- 分子量
- 150.18
名称と別名
名称をさらに表示
データベース識別子
- CAS
122-80-5- PubChem CID
- 31230
- DTXSID
DTXSID7024455- ChEMBL
CHEMBL1318876- ChEBI
CHEBI:229632- UNII
- IH5OX0I3Z9
- EC Number
- 204-576-6
- Nikkaji
- J43.352G
物性
構造計算による物性
- XLogP
- 0.1
- 極性表面積
- 55.1 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
- 1
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 139
実験および物理化学的性質
Physical Description
P-aminoacetanilide appears as white or slightly reddish solid. (NTP, 1992)
White or slightly reddish solid; Darkened by air; [Merck Index] Brown solid; [Acros Organics MSDS]
物理化学的性質
- 融点
- 164 · 164-167 °C(lit.)
- 沸点
- 267 °C · 267 °C
- 比重(密度)
- 1.1392 · 1.1392 (rough estimate)
- 屈折率
- 1.618 · 1.6180 (estimate)
- 闪点
- 195 °C · 195°C
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 65 g/l · 65g/l 微溶性
- 外見
- 微結晶性粉末
- 酸解離定数(Pka)
- 14.75 · 14.75±0.70(Predicted)
- 色
- ピンクからブラウン
- PH
- 7.2 · 7.2 (1g/l, H2O, 20℃)
- 水溶解度
- 25 ℃で0.1~1g/100mL · 25℃で0.1~1g/100mL
- Merck
- 14 · 14,411
- BRN
- 742888 · 742888
- InChI
- 1S/C8H10N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
- InChIKey
- CHMBIJAOCISYEW-UHFFFAOYSA-N
- SMILES
- CC(=O)Nc1ccc(N)cc1
- CAS データベース
- 122 · 122-80-5(CAS DataBase Reference)
- NISTの化学物質情報
- Acetamide, N-(4-aminophenyl)-(122-80-5)
- EPAの化学物質情報
- 4 · 4'-Aminoacetanilide (122-80-5)
化学的性質
化学的特性PINK TO BROWN FINE CRYSTALLINE POWDER
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 4.5% (8 of 179) of reports.
Danger
H317 (88.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P321, P333+P317, P337+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 179 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Acetamide, N-(4-aminophenyl)-
Acetamide, N-(4-aminophenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetamide, N-(4-aminophenyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 22-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23567
Reactivity Profile
Aromatic amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
安全と保護具
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.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing 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.
Personal Protective Equipment (PPE)
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)
安全データ
- F
- 8-9-23
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- AD8225000
- hs_code
- 29242995
- risk_code
- 36-42/43-20/21/22-R36
- 化審法
- (3)-244
- 安衛法
- 変異原性物質
- hazard_code
- Xn,Xi
- safety_code
- 22-26-36/37-39-36-S39-S26
- hazard_class
- IRRITANT
- Hazard Classifications
- Eye Irrit. 2
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
応用分野
用途アミノアゾ化合物およびp-フェニレンジアミン誘導体の出発原料として用いられ、アゾ系その他種々の酸性染料の中間体として広く使われる。
使用Intermediate in the manufacture of azo dyes, pharmaceuticals.
一般的な説明White or slightly reddish solid.
調製方法
純化方法Crystallise the anilide from water. It has an unstable crystalline form with m 141o. It has IR: max (CCl4) 1681cm-1. [Beilstein 13 H 94, 13 I 28, 13 II 50, 13 III 166, 13 IV 137.]
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