1-ナフトヒドラジド

1-Naphthohydrazide

HCID 72689

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 43038-45-5
標準SMILES: NNC(=O)c1cccc2ccccc12
InChIKey: VMFUMDXVTKTZQY-UHFFFAOYSA-N
分子式: C11H10N2O
平均分子量: 186.21 g/mol
単同位体質量: 186.07931295

名称と識別子

優先名称: 1-Naphthohydrazide
IUPAC: naphthalene-1-carbohydrazide
現地名: 1-ナフトヒドラジド
英語名: 1-NAPHTHHYDRAZIDE
分子式: C11H10N2O
分子量: 186.21

名称と別名

1-Naphthohydrazide1-Naphthalenecarboxylic acid, hydrazideEINECS 256-054-2NSC 23046AI3-30723DTXSID30195650RefChem:435020DTXCID70118141256-054-243038-45-51-Naphthhydrazidenaphthalene-1-carbohydrazide

名称をさらに表示

1-ナフトヒドラジド1-ナフタレンカルボヒドラジドナフタレン-1-カルボヒドラジド1-ナフトエ酸ヒドラジドSKL728AKOS BC-15151-phthhydrazide1-NaphthoylhydrazineA-NAPHTHOYLHYDRAZINE1-NAPHTHOIC HYDRAZIDESPECS AN-068/401866251-Naphthohydrazide>

1-Naphthalenecarbohydrazide1-Naphthoic acid hydrazideMFCD000168041-Naphthohydrazide #.alpha.-Naphthoylhydrazinealpha-naphthoic acid hydrazideNSC23046naphthalenecarbohydrazide

データベース識別子

CAS: 43038-45-5
PubChem CID: 72689
DTXSID: DTXSID30195650
EC Number: 256-054-2
Nikkaji: J308.229F

物性

構造計算による物性

XLogP: 2.1
極性表面積: 55.1 Å²
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: 14
形式電荷: 0
複雑度: 217

物理化学的性質

融点: 166 · 166-168°C
比重(密度): 1.232 · 1.232±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 12.65 · 12.65±0.30(Predicted)
色: White to Light yellow
BRN: 2966714 · 2966714
InChI: InChI=1S/C11H10N2O/c12-13-11(14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,12H2,(H,13,14)
InChIKey: VMFUMDXVTKTZQY-UHFFFAOYSA-N
SMILES: C1(C(NN)=O)=C2C(C=CC=C2)=CC=C1
CAS データベース: 43038 · 43038-45-5(CAS DataBase Reference)

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 (85.7%): 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 7 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (85.7%)

安全データ

hs_code: 2928.00.2500
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT

化学と産業

上流・下流製品情報

上流原料

下流製品

5-(naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol

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化合物ノート

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