2-Naphthoxyacetic acid (HCID 8422)

概要

2-naphthyloxyacetic acid is a naphthyloxyacetic acid.

名称と識別子

優先名称: 2-Naphthoxyacetic acid
IUPAC: 2-naphthalen-2-yloxyacetic acid
現地名: 2-ナフチルオキシ酢酸
英語名: 2-Naphthoxyacetic acid
分子式: C12H10O3
分子量: 202.21

名称と別名

2-Naphthoxyacetic acid120-23-0(2-Naphthyloxy)acetic acid2-Naphthyloxyacetic acidBetoxon2-NoxaNOXABetapalBETA-NAPHTHOXYACETIC ACIDO-(2-Naphthyl)glycolic acidBetoksonbeta-Naphthyloxyacetic acid

名称をさらに表示

2-ナフチルオキシ酢酸2-(2-ナフチルオキシ)酢酸ナフトキシ酢酸ベタパル2-(2-ナフトキシ)酢酸2-ナフトキシ酢酸2-ナフタレニルオキシ酢酸ガーラック1396(2-ナフチルオキシ)酢酸ゲルラッハ1396ゲルラック1396β-ナフトキシ酢酸ベトキソン(2-ナフトキシ)酢酸2-(ナフタレン-2-イルオキシ)酢酸フルートン(ナフタレン-2-イルオキシ)酢酸BNOBNOA(2-Naphthalenyloxy)acetic acidβ-Naphthoxyacetic acidnoaBerapal

(beta-Naphthalenyloxy)acetic acidDTXSID2042195717GVR334RNSC-2070DTXCID0022195CHEBI:50397RefChem:910128204-380-0

データベース識別子

CAS: 120-23-0
PubChem CID: 8422
DTXSID: DTXSID2042195
ChEMBL: CHEMBL1732186
ChEBI: CHEBI:50397
UNII: 717GVR334R
EC Number: 204-380-0
Nikkaji: J5.322H

物性

構造計算による物性

XLogP: 2.5
極性表面積: 46.5 Å²
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: 3
重原子数: 15
形式電荷: 0
複雑度: 227

実験および物理化学的性質

SpringerMaterials PropertiesFusion temperature

Pesticides · 2 件

Plant Growth Regulators

Active substance -> EU Pesticides database: Not approved

LogP2.530

Melting Point156 °C

Physical DescriptionSolid

Collision Cross Section151.2 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2042195]

物理化学的性質

融点: 151 · 151-154 °C(lit.)
沸点: 300.32 °C · 300.32°C (rough estimate)
比重(密度): 1.1868 · 1.1868 (rough estimate)
屈折率: 1.544 · 1.5440 (estimate)
貯蔵温度: 30 °C · Store below +30°C.
溶解性: Soluble in DMSO
酸解離定数(Pka): 3.18 · 3.18±0.30(Predicted)
外見: 結晶性
色: グレー
水溶解度: アルコール、エーテル、酢酸、ジメチルスルホキシドに可溶。水にわずかに溶ける。
Merck: 14 · 14,6397
BRN: 1074148 · 1074148
Henry's Law Constant: 3.5 · 3.5×105 mol/(m3Pa) at 25℃, Ebert et al. (2023)
InChI: 1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)
InChIKey: RZCJYMOBWVJQGV-UHFFFAOYSA-N
SMILES: OC(=O)COc1ccc2ccccc2c1
LogP: 2.53 · 2.530
CAS データベース: 120 · 120-23-0(CAS DataBase Reference)
NISTの化学物質情報: Acetic acid, (2-naphthyloxy)-(120-23-0)
EPAの化学物質情報: Naphthoxyacetic acid (120-23-0)

化学的性質

化学的特性2-Naphthoxyacetic acid is Gray crystals

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (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 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Acetic acid, (2-naphthalenyloxy)-

Commission Regulation (EC) No 33/2008

2009/65, Reg. (EU) No 1127/2011

(2-Naphthalenyloxy)acetic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: AI9659000
毒性: LD50 orally in Rabbit: 500 mg/kg
hs_code: 29189900
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

General Manufacturing InformationAcetic acid, 2-(2-naphthalenyloxy)-: ACTIVE

応用分野

使用2-Naphthoxyacetic acid is a phytohormone used as a plant growth regulator on tomatoes and strawberries.

一般的な説明2-Naphthoxyacetic acid is a plant growth hormone having structure related to auxin and is majorly used to regulate growth of tomatoes, apple and grapes.