5-Amino-2-methoxybenzotrifluoride

TIMTEC-BB SBB002596 · 3-Amino-6-methoxybenzotriflo · 3-TRIFLUOROMETHYL-P-ANISIDINE · 3-Amino-6-methoxybenzotrifloride · 4-Amino-2-trifluoromethylanisole · 3-AMINO-6-METHOXYBENZOTRIFLUORIDE · 3-Amino-6-methoxybenzotriflyoride · 5-AMINO-2-METHOXYBENZOTRIFLUORIDE

https://huagongshe.com/ko/chemical/600705

5-Amino-2-methoxybenzotrifluoride 분자 구조식

식별자 및 물리적 특성

CAS No.	393-15-7
분자식	C8H8F3NO
평균 분자량	191.15 g/mol
단동위원소 질량	191.05579854 g/mol
SMILES	COc1ccc(N)cc1C(F)(F)F
InChIKey	CQJCPOVTPNWVBW-UHFFFAOYSA-N
PubChem CID	600705
EC No.	670-719-8
DTXSID	DTXSID60344957

화학 및 물리적 성질

XLogP	2.1
극성 표면적	35.3
수소 결합 공여자 수	1
수소 결합 수용자 수	5
회전 가능 결합 수	1
무거운 원자 수	13
형식 전하	0
복잡도	171
녹는점	28 °C
끓는 점	112 °C
밀도	1.280±0.06 g/cm3(Predicted)
인화점	112°C/18mm
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
물리적 상태	solid
pKa(산도 계수)	3.98±0.10(Predicted)
BRN	2723972
InChI	InChI=1S/C8H8F3NO/c1-13-7-3-2-5(12)4-6(7)8(9,10)11/h2-4H,12H2,1H3
InChIKey	CQJCPOVTPNWVBW-UHFFFAOYSA-N
SMILES	C1(N)=CC=C(OC)C(C(F)(F)F)=C1

안전 및 규제

GHS 분류	WarningH302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (85.7%)
수질 위해 등급(WGK)	WGK 3
운송 번호(UN)	UN2811
관세 코드	2922290090
위험 문구(R)	20/21/22-36/37/38-52-22
위험 표시	Xi,T,Xn
안전 문구(S)	26-36/37/39
위험 등급	6.1Acute Tox. 4 OralAquatic Chronic 3
위험 참고 사항	Irritant
저장 분류	11 - Combustible Solids

용도

4-Methoxy-3-(trifluoromethyl)aniline is a fluorinated aniline derivative used as a pharmaceutical intermediate for the synthesis of antibacterial and antiparasitic quinoxaline-2,3-diamine derivatives.