4-ジメチルアミノ-2-メトキシベンズアルデヒド

4-ジメチルアミノ-2-メトキシベンズアルデヒド · NSC 156544 · 2-Methoxy-4-dimethylaminobenzaldehyde · 4-Dimethylamino-2-methoxybenzaldehyde · Benzaldehyde, 4-(dimethylamino)-2-methoxy-

https://huagongshe.com/ja/chemical/291350

識別子と物理属性

CAS No.	84562-48-1
分子式	C10H13NO2
平均分子量	179.22 g/mol
単同位体質量	179.09462866 g/mol
SMILES	COc1cc(N(C)C)ccc1C=O
InChIKey	HGDRXADJVGVGBC-UHFFFAOYSA-N
PubChem CID	291350
EC No.	677-050-0
DTXSID	DTXSID90303077
現地名	4-ジメチルアミノ-2-メトキシベンズアルデヒド

化学・物理的性質

XLogP	1.7
極性表面積	29.5
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
形式電荷	0
複雑度	170
融点	58-60°C
沸点	150-152 °C(Press: 0.1 Torr)
密度	1.098±0.06 g/cm3(Predicted)
貯蔵条件	under inert gas (nitrogen or Argon) at 2-8°C
溶解度	25℃で0.32g/Lの微溶性。
pKa（酸解離定数）	1.34±0.22(Predicted)
BRN	2719181
CAS データベース	84562-48-1(CAS DataBase Reference)

安全性と法規制

GHS 分類	WarningH315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (14.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 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.
Hazard Classes and Categories	Skin Irrit. 2 (85.7%)Skin Sens. 1 (14.3%)Eye Irrit. 2 (85.7%)STOT SE 3 (85.7%)
危険文句（R）	36/37/38
危険表示	Xi
安全措置（S）	26-36-36/37

用途

使用

4-Dimethylamino-2-methoxybenzaldehyde is used to produce 2,6-Dichloro-N'-(4-dimethylamino-2-methoxy-benzylidene)-benzene-1,4-diamine.