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4-ニトロ-2,6-ジヨードフェノール

2,6-Diiodo-4-nitrophenol

HCID 9370
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
305-85-1
標準SMILES
O=[N+]([O-])c1cc(I)c(O)c(I)c1
InChIKey
UVGTXNPVQOQFQW-UHFFFAOYSA-N
分子式
C6H3I2NO3
平均分子量
390.9 g/mol
単同位体質量
390.82023896

概要

Disophenol appears as light yellow feathery crystals (from glacial acetic acid) or yellow crystalline solid (NTP, 1992) Used against hookworm.

名称と識別子

優先名称
2,6-Diiodo-4-nitrophenol
IUPAC
2,6-diiodo-4-nitrophenol
現地名
4-ニトロ-2,6-ジヨードフェノール
英語名
2,6-Diiodo-4-nitrophenol
分子式
C6H3I2NO3
分子量
390.9

名称と別名

2,6-Diiodo-4-nitrophenol305-85-1DISOPHENOLPhenol, 2,6-diiodo-4-nitro-DiisophenolDisofenIodofenIodophen2,6-diiod-4-nitrophenolDTXSID404657339S5ZJ6SYNDISOPHEN
名称をさらに表示
4-ニトロ-2,6-ジヨードフェノール2,6-ジヨード-4-ニトロフェノールジイソフェノールジソフェノールLABOTEST-BB LT008480712,6-diiodo-4-nitro-pheno4-nitro-2,6-diiodophenol
NSC-94733DTXCID2026573RefChem:589564206-170-4SyngamixAncylol2,6-diiodo-4-nitro-phenolMFCD00007335

データベース識別子

CAS
305-85-1
PubChem CID
9370
DTXSID
DTXSID4046573
ChEMBL
CHEMBL1361334
ChEBI
CHEBI:81727
UNII
39S5ZJ6SYN
EC Number
206-170-4
Nikkaji
J154.151J

物性

構造計算による物性

XLogP
2.1
極性表面積
66.1 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
0
重原子数
12
形式電荷
0
複雑度
172

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Solubilityless than 1 mg/mL at 61 °F (NTP, 1992)
Melting Point306 to 309 °F (NTP, 1992)
Physical DescriptionDisophenol appears as light yellow feathery crystals (from glacial acetic acid) or yellow crystalline solid (NTP, 1992) Used against hookworm.

物理化学的性質

融点
152 · 152-154 °C(lit.)
沸点
310.6 · 310.6±42.0 °C(Predicted)
比重(密度)
2.563 · 2.5630 (estimate)
貯蔵温度
2 · 2-8°C(protect from light)
溶解性
DMSO (Slightly), Methanol (Slightly)
外見
Solid
酸解離定数(Pka)
3.85 · 3.85±0.44(Predicted)
色
Pale Yellow
水溶解度
非常に溶けにくい
Merck
14 · 14,3359
BRN
2052233 · 2052233

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Other Safety InformationIMAP assessments - Phenol, 2,6-diiodo-4-nitro-: Human health tier I assessment
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes. (NTP, 1992)
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile · 1 件

DISOPHENOL is a halogenated and nitrated phenol. Reacts as a weak acid. Incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. May generate heat with bases.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 3 (100%)

化学と産業

用途と製造

General Manufacturing InformationPhenol, 2,6-diiodo-4-nitro-: INACTIVE

応用分野

一般的な説明Light yellow feathery crystals (from glacial acetic acid) or yellow crystalline solid Used against hookworm.

上流・下流製品情報

上流原料

2-ヒドロキシ-5-ニトロベンゼンスルホン酸Phenol, 2,4-diiodo-6-nitro-2-ヨード-4-ニトロフェノール2,4,6-トリヨードフェノール2-Iodo-6-nitro-phenol2,6-ジヨードフェノールフェノール5-ニトロサリチル酸フェノキシナトリウムp-ニトロフェノールアンモニア

下流製品

1,4-ジニトロベンゼン

関連反応

3 件
反応記録を作成
HRID 518574 の反応式
HRID 518574反応物としてuspto-grants-2015_08
HRID 575840 の反応式
HRID 575840反応物としてuspto-grants-2015_05
HRID 1255378 の反応式
HRID 1255378反応物としてuspto-grants-2013_06

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
安定性
安定。
InChI
InChI=1S/C6H3I2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
InChIKey
UVGTXNPVQOQFQW-UHFFFAOYSA-N
SMILES
C1(O)=C(I)C=C([N+]([O-])=O)C=C1I
CAS データベース
305 · 305-85-1(CAS DataBase Reference)
NISTの化学物質情報
2 · 2,6-Diiodo-4-nitrophenol(305-85-1)
EPAの化学物質情報
2 · 2,6-Diiodo-4-nitrophenol (305-85-1)

化学的性質

化学的特性light yellow feathery crystals or yellow crystalline solid

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

安全データ

wgk
3
tsca
TSCA listed
rtecs
SL0750000
ridadr
UN 2811 6.1/PG 3
毒性
LD50 in rats, mice (mg/kg): 170, 212 orally; 105, 88 i.v.; 105, 107 i.p.; 122, 110 s.c. (Kaiser)
risk_code
20/21/22-36/37/38-25
hazard_code
Xn,T
safety_code
26-28-36/37/39-45-28A
hazard_class
6.1
packing_group
III

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