o-Iodonitrobenzene (HCID 69115)

名称と識別子

優先名称: o-Iodonitrobenzene
IUPAC: 1-iodo-2-nitrobenzene
現地名: 2-ヨードニトロベンゼン
英語名: 1-Iodo-2-nitrobenzene
分子式: C6H4INO2
分子量: 249.01

名称と別名

o-IodonitrobenzeneRefChem:5624911-Iodo-2-nitrobenzene609-73-42-Iodonitrobenzene2-Nitroiodobenzeneo-NitroiodobenzeneBenzene, 1-iodo-2-nitro-iodonitrobenzene2-iodo-1-nitrobenzene1-iodo-2-nitro-benzene1-nitro-2-iodobenzene

名称をさらに表示

2-ヨードニトロベンゼン(2-ニトロフェニル)ヨージド1-ヨード-2-ニトロベンゼン2-ニトロフェニルヨージドo-ニトロヨードベンゼン1-ニトロ-2-ヨードベンゼン2-ヨード-1-ニトロベンゼンo-ヨードニトロベンゼン2-ニトロ-1-ヨードベンゼン2-Iononitrobenzene2-NITRO IODO BENZENE2-Nitrophenyl iodide1-iodo-2-nitro-benzen(2-Nitrophenyl) iodide

MFCD00007088NSC-97932-nitro-1-iodobenzeneNSC9793NSC 97932-iodo-nitrobenzene2-nitro-iodobenzeneEINECS 210-200-1

データベース識別子

CAS: 609-73-4
PubChem CID: 69115
DTXSID: DTXSID9060574
UNII: 5D7NBA9LSJ
EC Number: 210-200-1
Nikkaji: J96.179E

物性

構造計算による物性

XLogP: 2.6
極性表面積: 45.8 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 134

実験および物理化学的性質

Physical DescriptionYellow powder; [Alfa Aesar MSDS]

Kovats Retention Index1457.8

物理化学的性質

融点: 49 · 49-51 °C(lit.)
沸点: 288 · 288-289 °C(lit.)
比重(密度): 1.9186 · 1.9186
闪点: 230 °F · >230 °F
貯蔵温度: Refrigerator (+4°C)
溶解性: soluble in Methanol
外見: 粒状粉末
色: 黄緑から黄褐色
水溶解度: 不溶性
BRN: 2044110 · 2044110
安定性: 安定。強塩基、強酸化剤とは相容れない。
InChI: 1S/C6H4INO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
InChIKey: JXMZUNPWVXQADG-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccccc1I
CAS データベース: 609 · 609-73-4(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1-iodo-2-nitro-(609-73-4)
EPAの化学物質情報: 1 · Benzene, 1-iodo-2-nitro- (609-73-4)

化学的性質

化学的特性solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (95.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (95.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (95.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.8%): 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 48 reports by companies from 7 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

Hazards SummaryA skin and strong eye irritant; May induce methemoglobinemia; Toxic by ingestion and skin absorption; Harmful by inhalation; [Alfa Aesar MSDS] See 2-Bromonitrobenzene.

Hazard Classes and CategoriesAcute Tox. 4 (95.8%)；Acute Tox. 4 (95.8%)；Skin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；Acute Tox. 4 (95.8%)；STOT SE 3 (95.8%)

毒性情報

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

安全データ

wgk: 3
tsca: TSCA listed
ridadr: 2811
hs_code: 29049090
risk_code: 20/21/22-36/37/38-36-33
hazard_code: Xn,Xi
safety_code: 26-36-36/37/39
hazard_class: IRRITANT
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

用途と製造

General Manufacturing InformationBenzene, 1-iodo-2-nitro-: ACTIVE

応用分野

使用1-Iodo-2-nitrobenzene is used as a reagent in the synthesis of 2'',4-Bis(aminophenyl)methane (B405515); an analog of 4,4''-Methylenedianiline (M304180) used in the manufacturing of resin enamel coating materials for copper wires.