CAS 89976-27-2 Methyl 4-iodo-3-nitrobenzoate (HCID 297884)

基本情報

CAS: 89976-27-2
標準SMILES: COC(=O)c1ccc(I)c([N+](=O)[O-])c1
InChIKey: SCMBIQRYVKITCY-UHFFFAOYSA-N
分子式: C8H6INO4
平均分子量: 307.04 g/mol
単同位体質量: 306.93416

名称と識別子

優先名称: Methyl 4-iodo-3-nitrobenzoate
IUPAC: methyl 4-iodo-3-nitrobenzoate
現地名: 4-ヨード-3-ニトロ安息香酸メチル
英語名: Methyl 4-iodo-3-nitrobenzoate
分子式: C8H6INO4
分子量: 307.04

名称と別名

methyl 4-iodo-3-nitrobenzoateDTXSID50305133RefChem:816487DTXCID20256264677-275-489976-27-2MFCD08064223methyl 4-iodo-3-nitro-benzoateMETHYL4-IODO-3-NITROBENZOATE4-Iodo-3-nitrobenzoic acid methyl esterBenzoic acid, 4-iodo-3-nitro-, methyl esterNSC169203

名称をさらに表示

4-ヨード-3-ニトロ安息香酸メチル4-ヨード-3-ニトロ安息香酸メチル, 99%Methyl-4-iodo-3-nitrobenzoate SynonyMs 4-Iodo-3-Nitrobenzoic Acid Methyl Ester

SCHEMBL14172654-iodo-3-nitro benzo4-iodo-3-nitro benzoic methyl esterAKOS009462780CS-W019526NSC-1692034-iodo-3-nitro-benzoic acid methyl esterAS-20096

データベース識別子

CAS: 89976-27-2
PubChem CID: 297884
DTXSID: DTXSID50305133
EC Number: 677-275-4
Nikkaji: J851.939K

物性

構造計算による物性

XLogP: 2.3
極性表面積: 72.1 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 240

物理化学的性質

融点: 103 · 103-105°C
沸点: 360.1 · 360.1±32.0 °C(Predicted)
比重(密度): 1.904 · 1.904±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
水溶解度: 10 mg/0.5mLに可溶。水に不溶。 · DCM 10mg/0.5mLに可溶。水に不溶。

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)

Aggregated GHS information provided per 5 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. 2A (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2916399090
risk_code: 20/21/22-36/37/38
safety_code: 26-37/39

化学と産業

応用分野

使用Methyl 4-iodo-3-nitrobenzoate is used as pharmaceutical intermediate.

上流・下流製品情報

上流原料

4-ヨード安息香酸メチルオルト酢酸トリメチルメタノール 4-ヨード-3-ニトロ安息香酸ヨードメタン

サプライヤー88 社

阜新奥瑞凯精细化工有限公司0418-5113999 18740177324 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

化合物ノート

読み込み中…