3-Methyl-2-nitroanisole

1-METHOXY-3-METHYL-2-NITROBENZENE · TIMTEC-BB SBB008616 · 2-Nitro-m-metylanisole · 2-NITRO-3-METHYLANISOLE · 3-METHYL-2-NITROANISOLE · 3-METHOXY-2-NITROTOLUENE · 2-NITRO-3-METHOXYTOLUENE · Mefenamic Acid Impurity 20

https://huagongshe.com/ko/chemical/79291

식별자 및 물리적 특성

CAS No.	5345-42-6
분자식	C8H9NO3
평균 분자량	167.16 g/mol
단동위원소 질량	167.05824315 g/mol
SMILES	COc1cccc(C)c1[N+](=O)[O-]
InChIKey	MGBRGNWARSQECY-UHFFFAOYSA-N
PubChem CID	79291
EC No.	226-295-8
DTXSID	DTXSID40201615

화학 및 물리적 성질

XLogP	2.1
극성 표면적	55.1
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	12
형식 전하	0
복잡도	166
녹는점	48-50 °C (lit.)
끓는 점	170 °C / 35mmHg
밀도	1.2917 (rough estimate)
굴절률	1.5570 (estimate)
인화점	>230 °F
저장 조건	Sealed in dry,Room Temperature
물리적 상태	powder to crystal
색상	White to Orange to Green
BRN	2329690
InChI	1S/C8H9NO3/c1-6-4-3-5-7(12-2)8(6)9(10)11/h3-5H,1-2H3
InChIKey	MGBRGNWARSQECY-UHFFFAOYSA-N
SMILES	COc1cccc(C)c1[N+]([O-])=O

화학적 성질

white to yellowish crystals

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H319 (86.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 4 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	Acute Tox. 4 (100%)Eye Irrit. 2A (86.7%)
수질 위해 등급(WGK)	3
운송 번호(UN)	UN 2811
관세 코드	29093090
위험 문구(R)	22-36/37/38
위험 표시	Xn,Xi
안전 문구(S)	24/25-36-26-25-24
위험 등급	Acute Tox. 4 Oral
저장 분류	11 - Combustible Solids