5-Bromo-2,3-dimethoxybenzaldehyde

HCID 322405CAS 71295-21-1
部分構造検索類似構造を探す

基本情報

標準SMILES
COc1cc(Br)cc(C=O)c1OC
InChIKey
RVMWFOFQRYTRHZ-UHFFFAOYSA-N
分子式
C9H9BrO3
平均分子量
245.07 g/mol
単同位体質量
243.97351

名称と識別子

優先名称
5-Bromo-2,3-dimethoxybenzaldehyde
IUPAC
5-bromo-2,3-dimethoxybenzaldehyde
英語名
5-Bromo-2 3-dimethoxybenzaldehyde 97
分子式
C9H9BrO3
分子量
245.07

名称と別名

5-Bromo-2,3-dimethoxybenzaldehydeDTXSID60314014RefChem:532935DTXCID60265138627-368-071295-21-1MFCD02611624NSC279839Cambridge id 6549019SCHEMBL127848RVMWFOFQRYTRHZ-UHFFFAOYSA-N5-Bromo-2-thoxy-3-mthoxybnzaldhyd
名称をさらに表示
5-Bromo-2 3-dimethoxybenzaldehyde 975-BroMo-2,3-diMethoxybenzaldehyde 97%
WCA295215-bromo-2,3-dimethoxy-benzaldehydeSBB099942STK201257AKOS000326676Benzaldehyde, 5-bromo-2,3-dimethoxy-NSC-2798395-bromo-2,3-bis(methyloxy)benzaldehyde

データベース識別子

CAS
71295-21-1
PubChem CID
322405
DTXSID
DTXSID60314014
EC Number
627-368-0
Nikkaji
J2.618.638B

物性

構造計算による物性

XLogP
2
極性表面積
35.5 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
3
重原子数
13

物理化学的性質

融点
81 · 81-84 °C (lit.)
沸点
312.7 · 312.7±37.0 °C(Predicted)
比重(密度)
1.482 · 1.482±0.06 g/cm3(Predicted)
貯蔵温度
2 · 2-8°C, stored under nitrogen
InChI
1S/C9H9BrO3/c1-12-8-4-7(10)3-6(5-11)9(8)13-2/h3-5H,1-2H3
InChIKey
RVMWFOFQRYTRHZ-UHFFFAOYSA-N

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 40 reports by companies from 3 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 (100%)

安全データ

wgk
3
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス
11 - Combustible Solids

化学と産業

応用分野

一般的な説明5-Bromo-2,3-dimethoxybenzaldehyde can be prepared by employing 5-bromo-2-hydroxy-3-methoxybenzaldehyde as a starting reagent.

上流・下流製品情報

サプライヤー43 社

上海康恩博医药科技有限公司17510465506 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

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