2,3,5-トリヨード安息香酸

2,3,5-トリヨード安息香酸 · フロラルトン · レギム8 · ジョンコロール · チバ · レギン8 · フロラール-トーン · TIBA

識別子と物理属性

CAS No.	88-82-4
分子式	C7H3I3O2
平均分子量	499.81 g/mol
単同位体質量	499.72672334 g/mol
SMILES	O=C(O)c1cc(I)cc(I)c1I
InChIKey	ZMZGFLUUZLELNE-UHFFFAOYSA-N
PubChem CID	6948
ChEMBL	CHEMBL115079
ChEBI	CHEBI:73175
EC No.	201-859-6
DTXSID	DTXSID4041317
現地名	2,3,5-トリヨード安息香酸

化学・物理的性質

XLogP	3.4
極性表面積	37.3
水素結合供与体数	1
水素結合受容体数	2
回転可能結合数	1
重原子数	12
形式電荷	0
複雑度	185
SpringerMaterials Properties	Fusion temperature
LogP（分配係数）	3.45
Color/Form	White to off-white amorphous powderPrisms from alcohol
溶解度	Insoluble in waterslightly soluble in benzenevery soluble in ethanol, etherVery slightly soluble in waterメタノール: 可溶 5%、かすんだ、オレンジ色から非常に濃いオレンジ色 (薄い)水に不溶。
Decomposition	Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide, Hydrogen iodide.
融点	225 °C220-222 °C (lit.)
Polymerization	Hazardous Polymerization: Will not occur
Dissociation Constants	pKa = approximately 1.5
Collision Cross Section	498.7 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID4041317]
沸点	456.7±45.0 °C(Predicted)
密度	2.7985 (estimate)
貯蔵条件	-20°C
pKa（酸解離定数）	2.16±0.10(Predicted)
外観・状態	個体
色	ライト・ブラウン
BRN	1955088
InChI	InChI=1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
InChIKey	ZMZGFLUUZLELNE-UHFFFAOYSA-N
SMILES	C(O)(=O)C1=CC(I)=CC(I)=C1I
CAS データベース	88-82-4(CAS DataBase Reference)
NISTの化学物質情報	2,3,5-Triiodobenzoic acid(88-82-4)
EPAの化学物質情報	2,3,5-Triiodobenzoic acid (88-82-4)

化学的特性

beige powder

安全性と法規制

GHS 分類	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Skin, Eye, and Respiratory Irritations	May cause skin irritation.
消火手順	Protective Equipment: Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes. Specific Hazard(s): Emits toxic fumes under fire conditions.
保管条件	Keep tightly closed. Store at -20 °C
清掃方法	Accidental Release Measures: Procedures to be followed in case of leak or spill - Evacuate area. Procedures of personal precautions: Wear self-contained breathing apparatus, rubber boots, and heavy rubber gloves. Methods for cleaning up: Sweep up, place in a bag and hold for waste disposal. Avoid raising dust. Ventilate area and wash spill site after material pickup is complete.
処分方法	SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.
Preventive Measures	Do not breathe dust. Avoid contact with eyes, skin, and clothing. Avoid prolonged or repeated exposure.For several good reasons, .... herbicides ... should be handled and applied only with full attention to safety measures that minimize personal contact. Many formulations contain adjuvants (stabilizers, penetrants, surfactants) that may have significant irritating and toxic effects. A number of premixed formulations contain two or more active ingredients

用途

解説

2,3,5-トリヨード安息香酸，トリヨードアンソクコウサン，2-アミノ安息香酸に塩酸溶液中のIClを作用させて，3,5位をジヨード化し，ついでアミノ基をジアゾ化してヨードに変換して合成する．"灰褐色の粉末．分解点345 ℃．メタノールに易溶，水に難溶．植物ホルモン作用があり，植物の生長を調節して，開花を促進する．除草剤として用いることもある．LD50 813 mg/kg.

使用

2,3,5-Triiodobenzoic Acid is a polar auxin transport inhibitor that inhibits and promotes endoreduplication in hypocotyls and cotyledons.