3-요오도-4,5-디메톡시벤즈알데히드

3-요오도-4,5-디메톡시벤즈알데히드 · AKOS B005529 · ASISCHEM R24517 · 5-iodoveratraldehyde · 3-IODO-4,5-DIMETHOXYBENZALDEHYDE · 4,5-DIMETHOXY-3-IODOBENZALDEHYDE · Benzaldehyde, 3-iodo-4,5-dimethoxy- · 4,5-Dimethoxy-3-iodobenzaldehyde-98%

https://huagongshe.com/ko/chemical/2778113

식별자 및 물리적 특성

CAS No.	32024-15-0
분자식	C9H9IO3
평균 분자량	292.07 g/mol
단동위원소 질량	291.95964215 g/mol
SMILES	COc1cc(C=O)cc(I)c1OC
InChIKey	MVPNBXPAUYYZAF-UHFFFAOYSA-N
PubChem CID	2778113
ChEMBL	CHEMBL566026
EC No.	626-583-7
DTXSID	DTXSID60380779
현지명	3-요오도-4,5-디메톡시벤즈알데히드

화학 및 물리적 성질

XLogP	2
극성 표면적	35.5
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	13
형식 전하	0
복잡도	174
녹는점	69-72 °C (lit.)
끓는 점	134-137 °C(Press: 0.8 Torr)
밀도	1.706±0.06 g/cm3(Predicted)
저장 조건	under inert gas (nitrogen or Argon) at 2–8 °C
BRN	1961757
InChI	1S/C9H9IO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H3
InChIKey	MVPNBXPAUYYZAF-UHFFFAOYSA-N
SMILES	COc1cc(C=O)cc(I)c1OC

안전 및 규제

GHS 분류	WarningH315 (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)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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
관세 코드	2913000090
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

3-Iodo-4,5-dimethoxybenzaldehyde was used in the preparation of 3-iodo-4,4′,5-trimethoxy-3′-O-tert-butyldiphenylsilyl-Z-stilbene and 3-iodo-4,4′,5-trimethoxy-3′-O-tert-butyldiphenylsilyl-E-stilbene. It may be used for the synthesis of chloropeptin I and chloropeptin II.

일반 설명

3-Iodo-4,5-dimethoxybenzaldehyde is an aryl iodide having an aldehyde group. It can be synthesized starting from 3,4-dihydroxy-5-iodobenzaldehyde.