2-Nitro-4-(trifluoromethoxy)aniline

HCID 2775772CAS 2267-23-4

기본 정보

표준 SMILES: Nc1ccc(OC(F)(F)F)cc1[N+](=O)[O-]
InChIKey: YCGFVAPIBALHRT-UHFFFAOYSA-N
분자식: C7H5F3N2O3
평균 분자량: 222.12 g/mol
단동위원소 질량: 222.02522668

이름 및 식별자

우선 이름: 2-Nitro-4-(trifluoromethoxy)aniline
IUPAC: 2-nitro-4-(trifluoromethoxy)aniline
영어명: 2-Nitro-4-(trifluoromethoxy)aniline
분자식: C7H5F3N2O3
분자량: 222.12

이름 및 동의어

2-Nitro-4-(trifluoromethoxy)aniline2267-23-4DTXSID00379687RefChem:264278DTXCID00330713630-726-9MFCD000423262-nitro-4-trifluoromethoxyanilineBenzenamine, 2-nitro-4-(trifluoromethoxy)-1-Amino-2-nitro-4-(trifluoromethoxy)benzene2-nitro-4-trifluoromethoxy-phenylamine2-nitro-4-(trifluoromethoxy)phenylamine

이름 더 보기

2-Nitro-4-(trifluoromethoxy)aniline>3-Nitro-4-aminotrifluoromethoxybenzene2-Nitro-4-(trifluoromethoxy)aniline97%2-Nitro-4-(trifluoromethoxy)aniline 97%2-nitrobenzoate-4-(trifluoromethoxy)aniline2-Nitro-4-(trifluoromethoxy)aniline ISO 9001：2015 REACH2-Amino-5-(trifluoromethoxy)nitrobenzene, 4-Amino-3-nitro-alpha,alpha,alpha-trifluoroanisole

SCHEMBL2031692-nitro4-trifluoromethoxyaniline2-nitro-4-trifluoromethoxy-anilineSBB063641AKOS015833502CS-W014725SB79584BP-10361

데이터베이스 식별자

CAS: 2267-23-4
PubChem CID: 2775772
DTXSID: DTXSID00379687
EC Number: 630-726-9
Nikkaji: J3.151.956J

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 81.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 241

물리화학적 성질

녹는점: 62 °C · 62 °C
끓는 점: 284.3 · 284.3±35.0 °C(Predicted)
밀도: 1.543 · 1.543±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: powder to crystal
산도 계수 (pKa): -1.38 · -1.38±0.10(Predicted)
색상: 밝은 노란색에서 갈색까지
InChI: InChI=1S/C7H5F3N2O3/c8-7(9,10)15-4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2
InChIKey: YCGFVAPIBALHRT-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(OC(F)(F)F)C=C1[N+]([O-])=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.