2-플루오로-5-(트리플루오로메틸)아닐린

2-플루오로-5-(트리플루오로메틸)아닐린 · 3-AMINO-4-FLUOROBENZOTRIFLUORIDE · uoro-5-(trifL · α,α,α,6-Tetrafluoro-m-toluidine · 4-FLUORO-3-AMINOBENZOTRIFLUORIDE · 3－amino－4－fluorobentozrifluoride · 3-amino-4-fluoro bensotrifluoride · 2-FLUORO-5-(TRIFLUOROMETHYL)ANILINE

https://huagongshe.com/ko/chemical/136349

식별자 및 물리적 특성

CAS No.	535-52-4
분자식	C7H5F4N
평균 분자량	179.11 g/mol
단동위원소 질량	179.03581181 g/mol
SMILES	Nc1cc(C(F)(F)F)ccc1F
InChIKey	DRKWGMXFFCPZLW-UHFFFAOYSA-N
PubChem CID	136349
EC No.	626-503-0
DTXSID	DTXSID80201710
현지명	2-플루오로-5-(트리플루오로메틸)아닐린

화학 및 물리적 성질

XLogP	2.5
극성 표면적	26
수소 결합 공여자 수	1
수소 결합 수용자 수	5
회전 가능 결합 수	0
무거운 원자 수	12
형식 전하	0
복잡도	156
끓는 점	155 °C (lit.)
밀도	1.378 g/mL at 25 °C (lit.)
굴절률	n20/D 1.461(lit.)
인화점	158 °F
저장 조건	Keep in dark place,Inert atmosphere,2-8°C
용해도	클로로포름, 메탄올에 용해됨
pKa(산도 계수)	1.98±0.10(Predicted)
물리적 상태	기름
색상	투명 무색
비중	1.378
BRN	1950800
InChI	InChI=1S/C7H5F4N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2
InChIKey	DRKWGMXFFCPZLW-UHFFFAOYSA-N
SMILES	C1(N)=CC(C(F)(F)F)=CC=C1F
NIST	Alpha,alpha,alpha,6-tetrafluoro-m-toluidine(535-52-4)

화학적 성질

clear yellow to orange liquid

안전 및 규제

저장 분류
GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (91.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (87%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, 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 46 reports by companies from 5 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%)Acute Tox. 4 (91.3%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (87%)
수질 위해 등급(WGK)	3
운송 번호(UN)	UN2810/6.1/II
관세 코드	29214200
위험 문구(R)	20/21/22-36/37/38-23-21/22
위험 표시	Xn,Xi,T
안전 문구(S)	26-36/37-45-36/37/39
위험 등급	6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
위험 참고 사항	Irritant

용도

2-Fluoro-5-(trifluoromethyl)aniline may be used in chemical synthesis studies.