CAS 103440-55-7 Methyl 2-iodo-6-methylbenzoate (HCID 23655277)

基本情報

CAS: 103440-55-7
標準SMILES: COC(=O)c1c(C)cccc1I
InChIKey: QDKBSGNTMQAIHK-UHFFFAOYSA-N
分子式: C9H9IO2
平均分子量: 276.07 g/mol
単同位体質量: 275.96472753

名称と識別子

優先名称: Methyl 2-iodo-6-methylbenzoate
IUPAC: methyl 2-iodo-6-methylbenzoate
英語名: Methyl 2-iodo-6-methylbenzoate
分子式: C9H9IO2
分子量: 276.07

名称と別名

METHYL 2-IODO-6-METHYLBENZOATE103440-55-7DTXSID90635345RefChem:354329DTXCID00586096813-514-2methyl 6-iodo-2-methylbenzoateMFCD080619172-iodo-6-methyl-benzoic acid methyl estermethyl 2-iodo-6-methyl-benzoateBenzoic acid, 2-iodo-6-methyl-, methyl esterSCHEMBL2021792

名称をさらに表示

Methyl 6-iodo-o-toluate, 3-Iodo-2-(methoxycarbonyl)toluene

QDKBSGNTMQAIHK-UHFFFAOYSA-NMethyl2-iodo-6-methylbenzoate97%Methyl 2-iodo-6-methylbenzoate 97%METHYL2-IODO-6-METHYLBENZOATEAKOS0158907082-Iodo-6-methylbenzoic acid methy esterAS-10218SY124511

データベース識別子

CAS: 103440-55-7
PubChem CID: 23655277
DTXSID: DTXSID90635345
EC Number: 813-514-2

物性

構造計算による物性

XLogP: 2.8
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 170

物理化学的性質

貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: powder
色: White, waxy

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.