N-에틸-4-(트리플루오로메틸)벤질아민

Benzenemethanamine, N-ethyl-4-(trifluoromethyl)-

HCID 485421

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 90390-12-8
표준 SMILES: CCNCc1ccc(C(F)(F)F)cc1
InChIKey: HVEKJUAYPMGFDD-UHFFFAOYSA-N
분자식: C10H12F3N
평균 분자량: 203.2 g/mol
단동위원소 질량: 203.09218387

이름 및 식별자

우선 이름: Benzenemethanamine, N-ethyl-4-(trifluoromethyl)-
IUPAC: N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
현지명: N-에틸-4-(트리플루오로메틸)벤질아민
영어명: N-Ethyl-4-(trifluoromethyl)benzylamine
분자식: C10H12F3N
분자량: 203.2

이름 및 동의어

90390-12-8Benzenemethanamine, N-ethyl-4-(trifluoromethyl)-ETHYL({[4-(TRIFLUOROMETHYL)PHENYL]METHYL})AMINEDTXSID30238137ethyl(((4-(trifluoromethyl)phenyl)methyl))amineRefChem:563341DTXCID50160628816-817-8N-Ethyl-4-(trifluoromethyl)benzylamineN-(4-(Trifluoromethyl)benzyl)ethanamineN-[[4-(trifluoromethyl)phenyl]methyl]ethanamineMFCD09948554

이름 더 보기

N-에틸-4-(트리플루오로메틸)벤질아민Aids-107207N-Ethyl-4-(trifluoromethyl)benzenemethanamine

Ethyl[4-(trifluoromethyl)benzyl]aminen-[4-(trifluoromethyl)benzyl]ethanamineN-ethyl-N-[4-(trifluoromethyl)benzyl]amineN-[4-(trifluoromethyl)benzyl}ethanamineN-{[4-(Trifluoromethyl)phenyl]methyl}ethanamineAIDS107207SCHEMBL3964858CHEMBL1182998

데이터베이스 식별자

CAS: 90390-12-8
PubChem CID: 485421
DTXSID: DTXSID30238137
ChEMBL: CHEMBL1182998
EC Number: 816-817-8
Nikkaji: J1.110.293J

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 159

물리화학적 성질

끓는 점: 208.3 · 208.3±35.0 °C(Predicted)
밀도: 1.122 · 1.122±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 8.99 · 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

GHS Classification · 5건

Warning

H302 (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 exposure; Respiratory 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

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