N-에틸-4-(트리플루오로메틸)벤질아민

N-에틸-4-(트리플루오로메틸)벤질아민 · Aids107207 · Aids-107207 · Ethyl[4-(trifluoromethyl)benzyl]amine · N-Ethyl-4-(trifluoromethyl)benzylamine · N-Ethyl-N-[4-(trifluoromethyl)benzyl]amine · N-Ethyl-4-(trifluoromethyl)benzenemethanamine · Ethyl({[4-(trifluoromethyl)phenyl]methyl})amine

https://huagongshe.com/ko/chemical/485421

식별자 및 물리적 특성

CAS No.	90390-12-8
분자식	C10H12F3N
평균 분자량	203.2 g/mol
단동위원소 질량	203.09218387 g/mol
SMILES	CCNCc1ccc(C(F)(F)F)cc1
InChIKey	HVEKJUAYPMGFDD-UHFFFAOYSA-N
PubChem CID	485421
ChEMBL	CHEMBL1182998
EC No.	816-817-8
DTXSID	DTXSID30238137
현지명	N-에틸-4-(트리플루오로메틸)벤질아민

화학 및 물리적 성질

XLogP	2.5
극성 표면적	12
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	3
무거운 원자 수	14
형식 전하	0
복잡도	159
끓는 점	208.3±35.0 °C(Predicted)
밀도	1.122±0.06 g/cm3(Predicted)
저장 조건	2-8°C(protect from light)
pKa(산도 계수)	8.99±0.10(Predicted)
InChI	InChI=1S/C10H12F3N/c1-2-14-7-8-3-5-9(6-4-8)10(11,12)13/h3-6,14H,2,7H2,1H3
InChIKey	HVEKJUAYPMGFDD-UHFFFAOYSA-N
SMILES	C1(CNCC)=CC=C(C(F)(F)F)C=C1

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
신호 어	Warning
유해·위험 문구	암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

용도

N-Ethyl-4-(trifluoromethyl)benzylamine is used in preparation of 1,2-Dithiolone compounds and use thereof for controlling Phytopathogenic. microorganisms