基本情報
- 標準SMILES
CC(=O)Nc1cccc(N)c1- InChIKey
PEMGGJDINLGTON-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
M-aminoacetanilide is a gray solid. (NTP, 1992)
名称と識別子
- 優先名称
- m-Aminoacetanilide
- IUPAC
- N-(3-aminophenyl)acetamide
- 現地名
- 3'-アミノアセトアニリド
- 英語名
- N1-(3-Aminophenyl)acetamide
- 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
102-28-3- PubChem CID
- 7604
- DTXSID
DTXSID2024454- ChEMBL
CHEMBL1606123- UNII
- Q5K7HYS7JJ
- EC Number
- 203-021-5
- Nikkaji
- J43.351I
物性
構造計算による物性
- XLogP
- 0.9
- 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
- 147
実験および物理化学的性質
Physical Description
M-aminoacetanilide is a gray solid. (NTP, 1992)
Gray solid; [CAMEO] Light brown crystalline powder; [Acros Organics MSDS]
物理化学的性質
- 融点
- 86 · 86-88 °C(lit.)
- 沸点
- 271.72 °C · 271.72°C (rough estimate)
- 比重(密度)
- 1.1392 · 1.1392 (rough estimate)
- 屈折率
- 1.618 · 1.6180 (estimate)
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 外見
- powder to crystal
- 酸解離定数(Pka)
- 14.82 · 14.82±0.70(Predicted)
- 色
- White to Gray to Brown
- 水溶解度
- 24 ℃で1~5g/100mL · 24℃で1~5g/100mL
- InChI
- InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,9H2,1H3,(H,10,11)
- InChIKey
- PEMGGJDINLGTON-UHFFFAOYSA-N
- SMILES
- C(NC1=CC=CC(N)=C1)(=O)C
- CAS データベース
- 102 · 102-28-3(CAS DataBase Reference)
- EPAの化学物質情報
- 3 · 3'-Aminoacetanilide (102-28-3)
化学的性質
化学的特性light brown crystalline powder
安全と法規制
GHS分類
GHS Classification
Warning
H302 (21.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
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: 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.
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
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AD8050000
- 毒性
- mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02899,
- hs_code
- 29214200
- risk_code
- 36/37/38
- 化審法
- (3)-244
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 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
用途有機合成原料。
使用3'-Aminoacetanilide is mainly used as reaction intermediates dyes and disperse dyes.
一般的な説明Gray solid.
上流・下流製品情報
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下流製品
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