3-Chloro-4-methoxybenzaldehyde

40903-09-7 · AKOS B029259 · TIMTEC-BB SBB003854 · CHEMBRDG-BB 6945816 · 3-chloroanisaldehyde · 3-CHLORO-P-ANISALDEHYDE · 4-Methoxy-3-chlorobenzaldehyde · 3-Chloro-4-methoxybenzaldehyde

https://huagongshe.com/ko/chemical/78619

식별자 및 물리적 특성

CAS No.	4903-09-7
분자식	C8H7ClO2
평균 분자량	170.59 g/mol
단동위원소 질량	170.0134572 g/mol
SMILES	COc1ccc(C=O)cc1Cl
InChIKey	WYVGYYIZXPXHAZ-UHFFFAOYSA-N
PubChem CID	78619
ChEBI	CHEBI:200810
EC No.	225-532-2
DTXSID	DTXSID50197671

화학 및 물리적 성질

XLogP	2.2
극성 표면적	26.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	11
형식 전하	0
복잡도	138
녹는점	56-60 °C (lit.)
끓는 점	128 °C(Press: 5 Torr)
밀도	1.244±0.06 g/cm3(Predicted)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	메탄올에 용해됨
물리적 상태	powder to crystal
색상	흰색에서 거의 흰색
InChI	1S/C8H7ClO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
InChIKey	WYVGYYIZXPXHAZ-UHFFFAOYSA-N
SMILES	[H]C(=O)c1ccc(OC)c(Cl)c1

안전 및 규제

GHS 분류	WarningH315 (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 exposureRespiratory 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 6 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 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
수질 위해 등급(WGK)	3
관세 코드	29130000
안전 문구(S)	22-24/25
저장 분류	11 - Combustible Solids

용도

3-Chloro-4-methoxybenzaldehyde is mainly used in organic synthesis, as a drug intermediate and chemical reagent, and is widely used in pharmaceuticals, materials science and other fields.