ニコチン酸N-オキシド

Oxiniacic Acid

HCID 16976CAS 2398-81-4

基本情報

標準SMILES
O=C(O)c1ccc[n+]([O-])c1
InChIKey
FJCFFCXMEXZEIM-UHFFFAOYSA-N
分子式
C6H5NO3
平均分子量
139.11 g/mol
単同位体質量
139.02694302

名称と識別子

優先名称
Oxiniacic Acid
IUPAC
1-oxidopyridin-1-ium-3-carboxylic acid
現地名
ニコチン酸N-オキシド
英語名
Nicotinic acid N-oxide
分子式
C6H5NO3
分子量
139.11

名称と別名

Nicotinic acid N-oxide2398-81-4Oxiniacic acidNicotinic acid 1-oxide3-Pyridinecarboxylic acid, 1-oxideNicotinic acid oxideAcido oxiniacicoAcide oxiniaciqueAcidum oxiniacicumN-Hydroxynicotinic acid3-Pyridinecarboxylic acid oxide3-Carboxypyridine N-oxide
名称をさらに表示
ニコチン酸N-オキシドニコチン酸1‐オキシドオキシニアク酸ニコチン酸 N-オキシドオキシニアス酸OxiniacicOxyniacinNicotinic N-oxideOxynicotinic acidRARECHEM AL BO 0712TIMTEC-BB SBB004182N-oxidenicotinic acidSPECS AJ-333/25022123
Pyridine-3-carboxylic acid N-oxideYY03Q39E6LAcide oxiniacique [INN-French]Acido oxiniacico [INN-Spanish]DTXSID2046543Oxiniacic acid [INN:DCF]NSC-93890Acidum oxiniacicum [INN-Latin]

データベース識別子

CAS
2398-81-4
PubChem CID
16976
DTXSID
DTXSID2046543
ChEMBL
CHEMBL1591725
ChEBI
CHEBI:134763
UNII
YY03Q39E6L
EC Number
219-265-0
Nikkaji
J1.334.729H、J1.809K

物性

構造計算による物性

XLogP
-0.6
極性表面積
62.8 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
1
重原子数
10

物理化学的性質

融点
254 · 254-255 °C (dec.)(lit.)
沸点
255.04 °C · 255.04°C (rough estimate)
比重(密度)
1.4429 · 1.4429 (rough estimate)
屈折率
1.5423 · 1.5423 (estimate)
貯蔵温度
Inert atmosphere,Room Temperature
溶解性
ベンゼン:不溶

化学的性質

化学的特性BEIGE FINE CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 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

Regulatory InformationStatus: Active Update: 13-04-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/7350
Hazard Classes and CategoriesAcute Tox. 4 (33.3%);Acute Tox. 4 (66.7%);Skin Irrit. 2 (66.7%);Eye Irrit. 2A (66.7%);Acute Tox. 4 (33.3%);STOT SE 3 (33.3%)

法規制情報

Regulatory InformationStatus: Active Update: 13-04-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/7350

安全データ

wgk
3
tsca
TSCA listed
hs_code
29333999
risk_code
20/21-36/37/38
hazard_code
Xn,Xi
safety_code
22-24/25-36-26

化学と産業

用途と製造

General Manufacturing Information3-Pyridinecarboxylic acid, 1-oxide: ACTIVE

応用分野

使用antilipemic

一般的な説明Nicotinic acid N-oxide acts as a ligand and forms lead-carboxylate complexes having phosphorescent properties.

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
河北贞田食品添加剂有限公司0319-5925599 13373390591
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]

関連反応

21 件

関連ノート

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