4-ヒドロキシイソフタル酸ジメチル

Dimethyl 4-hydroxyisophthalate

HCID 80087
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
5985-24-0
標準SMILES
COC(=O)c1ccc(O)c(C(=O)OC)c1
InChIKey
ALBUJVBOIXVVLS-UHFFFAOYSA-N
分子式
C10H10O5
平均分子量
210.18 g/mol
単同位体質量
210.05282342

名称と識別子

優先名称
Dimethyl 4-hydroxyisophthalate
IUPAC
dimethyl 4-hydroxybenzene-1,3-dicarboxylate
現地名
4-ヒドロキシイソフタル酸ジメチル
英語名
Dimethyl 4-hydroxyisophthalate
分子式
C10H10O5
分子量
210.18

名称と別名

Dimethyl 4-hydroxyisophthalate5985-24-04-Hydroxyisophthalic acid dimethyl ester1,3-Benzenedicarboxylic acid, 4-hydroxy-, dimethyl esterUNII-M57C256V9R1,3-Benzenedicarboxylic acid, 4-hydroxy-, 1,3-dimethyl esterM57C256V9RIsophthalic acid, 4-hydroxy-, dimethyl esterEINECS 227-803-0NSC 109108NSC-109108DTXSID7064075
名称をさらに表示
4-ヒドロキシイソフタル酸ジメチルMETHYL SALICYLATE RELATED COMPOUND A (4-ヒドロキシイソフタル酸ジメチル)RARECHEM AL BF 0932Miconazole Impurity 8Salicylic Acid Impurity 3Methyl Salicylate Impurity ADiMethyl 4-hydroxysophthalateDimetghyl4-HydroxyisophthalateDimethyl4-Hydroxyisophthalate>Methyl salicylate Related Compound A
METHYL SALICYLATE IMPURITY E [EP IMPURITY]4-HYDROXYISOPHTHALIC ACID DIMETHYL ESTER [MI]METHYL SALICYLATE IMPURITY E (EP IMPURITY)RefChem:134215DTXCID3042718Isophthalic acid, 4-hydroxy-, dimethyl ester (8CI)227-803-04-Hydroxy-isophthalic acid dimethyl ester

データベース識別子

CAS
5985-24-0
PubChem CID
80087
DTXSID
DTXSID7064075
ChEBI
CHEBI:194259
UNII
M57C256V9R
EC Number
227-803-0
Nikkaji
J223.926D

物性

構造計算による物性

XLogP
2.2
極性表面積
72.8 Ų
水素結合供与体数
1
水素結合受容体数
5
回転可能結合数
4
重原子数
15

実験および物理化学的性質

Kovats Retention Index1577

物理化学的性質

融点
97 °C · 97 °C
沸点
305 ℃ · 305℃
比重(密度)
1.284 · 1.284
闪点
117 ℃ · 117℃
貯蔵温度
Sealed in dry,Room Temperature
溶解性
アセトニトリル（微量）、クロロホルム（微量）

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)

安全データ

wgk
WGK 3
tsca
TSCA listed
hs_code
2918230000
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

化学と産業

用途と製造

General Manufacturing Information1,3-Benzenedicarboxylic acid, 4-hydroxy-, 1,3-dimethyl ester: INACTIVE

応用分野

用途有機合成原料。

使用4-Hydroxy-isophthalic Acid Dimethyl Ester (cas# 5985-24-0) is a compound useful in organic synthesis.

上流・下流製品情報

サプライヤー100 社

常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

関連反応

17 件
反応記録を作成

化合物ノート

読み込み中…