3-ニトロフェニルヒドラジン塩酸塩

3-Nitrophenylhydrazinium(1+) chloride

HCID 5464285

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 636-95-3
標準SMILES: Cl.NNc1cccc([N+](=O)[O-])c1
InChIKey: BKOYKMLGFFASBG-UHFFFAOYSA-N
分子式: C6H8ClN3O2
平均分子量: 189.6 g/mol
単同位体質量: 189.0305042

名称と識別子

優先名称: 3-Nitrophenylhydrazinium(1+) chloride
IUPAC: (3-nitrophenyl)hydrazine;hydrochloride
現地名: 3-ニトロフェニルヒドラジン塩酸塩
英語名: 3-Nitrophenylhydrazine hydrochloride
分子式: C6H8ClN3O2
分子量: 189.6

名称と別名

636-95-33-Nitrophenylhydrazinium(1+) chlorideEINECS 211-270-6DTXSID00212984NSC 66488Hydrazine, (3-nitrophenyl)-, hydrochloride (1:1)RefChem:504505DTXCID30135475211-270-63-Nitrophenylhydrazine hydrochloride(3-nitrophenyl)hydrazine hydrochlorideHydrazine, (3-nitrophenyl)-, monohydrochloride

名称をさらに表示

3-ニトロフェニルヒドラジン塩酸塩(m-ニトロフェニル)ヒドラジン·塩酸塩m-ニトロフェニルヒドラジン·塩酸塩3-水酸化ニトロフェニルヒドラジン3-ニトロフェニルヒドラジン塩酸塩M-ニトロフェニルヒドラジン塩酸塩(m-ニトロフェニル)ヒドラジン・塩酸塩m-ニトロフェニルヒドラジン・塩酸塩3-NitrophenylhydrazineHclM-NITROPHENYLHYDRAZINE HCL3-Nitrophenylhydrazine Hcl 98%M-Nitrophenylhydrazinium chloride3-NITROPHENYLHYDRAZINE HYDROCHLORIDE 98%3-NITROPHENYLHYDRAZINE HYDROCHLORIDE, 98 %3-Nitrophenylhydrazine Hydrochloride, 97+%

MFCD00012939(3-nitrophenyl)hydrazine;hydrochloridem-Nitrophenylhydrazine hydrochlorideNSC-664883-Nitrophenylhydrazine HClm-Nitrophenylhydrazine Hydrochloride; 3-Nitrophenylhydrazine MonohydrochlorideHydrazine, (3-nitrophenyl)-, hydrochlorideSCHEMBL260219

データベース識別子

CAS: 636-95-3
PubChem CID: 5464285
DTXSID: DTXSID00212984
UNII: E4T3FE82M3
EC Number: 211-270-6

物性

構造計算による物性

極性表面積: 83.9 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 145

物理化学的性質

融点: 210 °C · 210 °C (dec.)(lit.)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: DMSO、メタノール（微量）
外見: 個体
色: イエローからダークイエロー
BRN: 3569013 · 3569013
InChI: 1S/C6H7N3O2.ClH/c7-8-5-2-1-3-6(4-5)9(10)11;/h1-4,8H,7H2;1H
InChIKey: BKOYKMLGFFASBG-UHFFFAOYSA-N
SMILES: Cl.NNc1cccc(c1)[N+]([O-])=O
CAS データベース: 636 · 636-95-3(CAS DataBase Reference)

化学的性質

化学的特性YELLOW CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (97.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.8%): 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 46 reports by companies from 6 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 CategoriesAcute Tox. 4 (97.8%)；Acute Tox. 4 (97.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (97.8%)；STOT SE 3 (97.8%)

安全データ

wgk: 3
ridadr: 2811
hs_code: 2928009090
risk_code: 20/21/22-36/37/38
化審法: (3)-477
消防法: 危-5-II
hazard_code: Xn,Xi
safety_code: 26-37/39-36
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

用途有機合成原料。

使用3-Nitrophenylhydrazine Hydrochloride acts as a reagent in the preparation of isosteviol-fused pyrazolines and pyrazoles as potential anticancer agents, preparation of pyrazolobenzothiazines as inhibitors of hepatitis C virus replication.