p-Bromophenoxyacetic acid (HCID 74657)

名称と識別子

優先名称: p-Bromophenoxyacetic acid
IUPAC: 2-(4-bromophenoxy)acetic acid
現地名: 4-ブロモフェノキシ酢酸
英語名: p-Bromophenoxyacetic acid
分子式: C8H7BrO3
分子量: 231.04

名称と別名

p-Bromophenoxyacetic acidbromophenoxyacetic acidRefChem:5521061878-91-74-Bromophenoxyacetic acid2-(4-bromophenoxy)acetic acid(4-Bromophenoxy)acetic acidAcetic acid, (4-bromophenoxy)-Acetic acid, 2-(4-bromophenoxy)-p-Bromophenoxyacetatep-Bromophenoxyacetic acvidAcetic acid, (p-bromophenoxy)-

名称をさらに表示

4-ブロモフェノキシ酢酸(4-ブロモフェノキシ)酢酸P-ブロモフェノキシ酢酸P‐ブロモフェノキシ酢酸2-(4-ブロモフェノキシ)酢酸4-ブロモフェノキシ酢酸, 95%AKOS BBB/216AKOS BBS-00001063IFLAB-BB F1924-0026p-BroMophenoxyaceticLABOTEST-BB LT000003284-BroMophenoxacetic acid2-(4-bromophenoxy)acetate

MFCD00093070QM8SNH9TP7NSC-650854-BromophenoxyaceticAcidEINECS 217-530-5NSC 65085p-BromophenoxyaceticacidEnamine_001972

データベース識別子

CAS: 1878-91-7
PubChem CID: 74657
DTXSID: DTXSID2062034
ChEMBL: CHEMBL173307
UNII: QM8SNH9TP7
EC Number: 217-530-5
Nikkaji: J137.006E

物性

構造計算による物性

XLogP: 2.4
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: 12
形式電荷: 0
複雑度: 152

物理化学的性質

融点: 149 · 149-153 °C(lit.)
沸点: 337.9 · 337.9±17.0 °C(Predicted)
比重(密度): 1.6494 · 1.6494 (rough estimate)
屈折率: 1.473 · 1.4730 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 3.09 · 3.09±0.10(Predicted)
色: White to Almost white
InChI: 1S/C8H7BrO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey: SZEBGAQWWSUOHT-UHFFFAOYSA-N
SMILES: OC(=O)COc1ccc(Br)cc1
CAS データベース: 1878 · 1878-91-7(CAS DataBase Reference)
EPAの化学物質情報: Acetic acid, (4-bromophenoxy)- (1878-91-7)

化学的性質

化学的特性White or cream crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29189900
hazard_code: Xi
safety_code: 24/25
hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationAcetic acid, 2-(4-bromophenoxy)-: INACTIVE

応用分野 · 3 件

用途有機合成原料。

使用4-Bromophenoxyacetic acid may be used as a starting material in the preparation of radioiodinated phenoxyacetic acid derivatives with potential application as radiopharmaceuticals.

一般的な説明4-Bromophenoxyacetic acid, also known as p-bromophenoxyacetate, is a phenoxyalkanoic acid derivative. It is a chemical elicitor that can induce β-glucuronidase (GUS) activity in rice.

調製方法

純化方法Crystallise the acid from EtOH or H2O (m 161.4-161.8o). [Hayes & Branch J Am Chem Soc 65 1555 1943, Beilstein 6 III 747, 6 IV 1052.]

上流・下流製品情報

上流原料

4-bromophenyl 2-(4-bromophenoxy)acetate (4-ブロモフェノキシ)酢酸メチルブロモ酢酸ヨードベンゼンフェノキシ酢酸エチル 4-ブロモフェノールクロロ酢酸ナトリウムクロロ酢酸フェノキシ酢酸よう素酢酸

下流製品

(4-ブロモフェノキシ)酢酸エチル臭化物

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

4-ブロモフェノキシ酢酸

基本情報