6-Aminonicotinic acid (HCID 18496)

名称と識別子

優先名称: 6-Aminonicotinic acid
IUPAC: 6-aminopyridine-3-carboxylic acid
現地名: 6-アミノニコチン酸
英語名: 6-Aminonicotinic acid
分子式: C6H6N2O2
分子量: 138.12

名称と別名

6-Aminonicotinic acid3167-49-56-Aminopyridine-3-carboxylic acid3-Pyridinecarboxylic acid, 6-amino-2-Amino-5-pyridinecarboxylic acidNicotinic acid, 6-amino-9VR2O1OK60CHEBI:68583NSC-229361DTXSID6062882RefChem:104207DTXCID6038401

名称をさらに表示

6-アミノニコチン酸6-アミノピリジン-3-カルボン酸6-アミノ-3-ピリジンカルボン酸6アミノニコチン酸6‐アミノニコチン酸6- aMinoacid6-AMinonicotinic aTIMTEC-BB SBB004186RARECHEM AL BO 11676-Aminonicotinc Acid

221-630-46-amino-nicotinic acid6-Amino Nicotinic AcidMFCD000063266-AMINO-3-PYRIDINECARBOXYLIC ACIDCHEMBL33228642-aminopyridine-5-carboxylic acid6-Aminonicotinicacid

データベース識別子

CAS: 3167-49-5
PubChem CID: 18496
DTXSID: DTXSID6062882
ChEMBL: CHEMBL3322864
ChEBI: CHEBI:68583
UNII: 9VR2O1OK60
EC Number: 221-630-4
Nikkaji: J80.655B

物性

構造計算による物性

XLogP: 1.4
極性表面積: 76.2 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 138

物理化学的性質

融点: 300 °C · >300 °C (lit.)
沸点: 253.51 °C · 253.51°C (rough estimate)
比重(密度): 1.3471 · 1.3471 (rough estimate)
屈折率: 1.51 · 1.5100 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 2.86 · 2.86±0.10(Predicted)
外見: 粉
色: 白からベージュ
水溶解度: 1 g/L · 約 1.0 g/L (20 °C)
Merck: 14 · 14,456
BRN: 115992 · 115992
InChI: InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)
InChIKey: ZCIFWRHIEBXBOY-UHFFFAOYSA-N
SMILES: C1=NC(N)=CC=C1C(O)=O
CAS データベース: 3167 · 3167-49-5(CAS DataBase Reference)
NISTの化学物質情報: 6 · Nicotinic acid, 6-amino-(3167-49-5)
EPAの化学物質情報: 3 · 3-Pyridinecarboxylic acid, 6-amino- (3167-49-5)

化学的性質

化学的特性Light yellow Cryst

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (87.5%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29333990
risk_code: 36/37/38-23/24/25
hazard_code: Xi,T
safety_code: 22-24/25-45-36/37/39-26
hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information3-Pyridinecarboxylic acid, 6-amino-: INACTIVE

応用分野 · 3 件

用途有機合成原料。

使用6-Aminopyridine-3-carboxylic acid (6-Aminonicotinic acid) was used in the preparation of resin-bound 2-aminoazine.

一般的な説明Electrosynthesis of 6-aminopyridine-3-carboxylic acid (6-aminonicotinic acid) by electrochemical reduction of 2-amino-5-bromo and 2-amino-5-chloropyridine in the presence of CO2 at silver electrode has been reported.

調製方法

純化方法Crystallise the acid from aqueous acetic acid. Dry it in vacuo at 70o. [Beilstein 22 III/IV 6726.]

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

補足説明

定義ChEBI: An aminonicotinic acid in which the amino group is situated at position 6 of the pyridine ring.

6-アミノニコチン酸

基本情報