N1-메틸-4-(트리플루오로메틸)벤젠-1,2-디아민

N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine

HCID 715666CAS 35203-49-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CNc1ccc(C(F)(F)F)cc1N
InChIKey: KWYSQBACVABOFL-UHFFFAOYSA-N
분자식: C8H9F3N2
평균 분자량: 190.17 g/mol
단동위원소 질량: 190.07178295

이름 및 식별자

우선 이름: N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine
IUPAC: 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
현지명: N1-메틸-4-(트리플루오로메틸)벤젠-1,2-디아민
영어명: N1-METHYL-4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE
분자식: C8H9F3N2
분자량: 190.17

이름 및 동의어

n1-methyl-4-(trifluoromethyl)benzene-1,2-diamine35203-49-7DTXSID00351968RefChem:365105DTXCID10303034640-310-91-N-methyl-4-(trifluoromethyl)benzene-1,2-diamineMFCD01571385N~1~-methyl-4-(trifluoromethyl)benzene-1,2-diamine1,2-benzenediamine, N~1~-methyl-4-(trifluoromethyl)-3,4-Diamino-N4-methylbenzotrifluoride[2-amino-4-(trifluoromethyl)phenyl]methylamine

이름 더 보기

N1-메틸-4-(트리플루오로메틸)벤젠-1,2-디아민BUTTPARK 50\01-73N1-Methyl-4-trifluoroMethyl-o.phenylenediaMineN-methyl-4-(trifluoromethyl)benzene-1,2-diamine[2-amino-4-(trifluoromethyl)phenyl]-methyl-amineN1-methyl-5-(trifluoromethyl)benzene-1,2-diamineN1-Methyl-4-(trifluoromethyl)-1,2-benzenediamine

1,2-Benzenediamine,N1-methyl-4-(trifluoromethyl)-1,2-Benzenediamine, N1-methyl-4-(trifluoromethyl)-N1-methyl-4-trifluoromethylbenzene-1,2-diamineSCHEMBL115650N-[2-Amino-4-(trifluoromethyl)-phenyl]-N-methylamineorb3031261CHEMBL5419284Fr12665

데이터베이스 식별자

CAS: 35203-49-7
PubChem CID: 715666
DTXSID: DTXSID00351968
ChEMBL: CHEMBL5419284
EC Number: 640-310-9
Nikkaji: J1.802.840I

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 38.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 169

물리화학적 성질

녹는점: 53 °C · 53 °C
끓는 점: 249.7 · 249.7±40.0 °C(Predicted)
밀도: 1.314 · 1.314±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 5.33 · 5.33±0.11(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+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.