3,5-ジクロロ-2,6-ジメトキシ安息香酸

3,5-Dichloro-2,6-dimethoxybenzoic Acid

HCID 2774750

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 73219-91-7
標準SMILES: COc1c(Cl)cc(Cl)c(OC)c1C(=O)O
InChIKey: JPIAALCEQSLBKF-UHFFFAOYSA-N
分子式: C9H8Cl2O4
平均分子量: 251.06 g/mol
単同位体質量: 249.9799641

名称と識別子

優先名称: 3,5-Dichloro-2,6-dimethoxybenzoic Acid
IUPAC: 3,5-dichloro-2,6-dimethoxybenzoic acid
現地名: 3,5-ジクロロ-2,6-ジメトキシ安息香酸
英語名: 3,5-Dichloro-2,6-dimethoxybenzoic acid
分子式: C9H8Cl2O4
分子量: 251.06

名称と別名

3,5-dichloro-2,6-dimethoxybenzoic acid73219-91-7DTXSID10379198RefChem:271635DTXCID10330224630-133-5C9H8Cl2O43,5-Dichloro-2,6-dimethoxy-benzoic acidMFCD001739103,5-Dichloro-2,6-dimethoxybenzoicAcidOprea1_675751CCG-44342

名称をさらに表示

3,5-ジクロロ-2,6-ジメトキシ安息香酸3,5-ジクロロ-2,6ジメトキシ安息香酸3,5-dichloro-2,6-dimethoxybenzoate3,5-Dichloro-2,6-dimethoxybenzoicAcid>Benzoic acid, 3,5-dichloro-2,6-dimethoxy-3,5-DICHLORO-2,6-DIMETHOXYBENZOIC ACID 98%

AKOS016846149AS-63658D4133SR-01000634183-1Maybridge1_001772SCHEMBL1323406HMS546I12FD69831

データベース識別子

CAS: 73219-91-7
PubChem CID: 2774750
DTXSID: DTXSID10379198
EC Number: 630-133-5
Nikkaji: J1.212.416C

物性

構造計算による物性

XLogP: 2.6
極性表面積: 55.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 220

物理化学的性質

融点: 99 · 99-101°C
沸点: 362.3 · 362.3±37.0 °C(Predicted)
比重(密度): 1.443 · 1.443±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: DCM
酸解離定数(Pka): 3.24 · 3.24±0.10(Predicted)
外見: 個体
色: ペールイエロー

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 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 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.