4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine

HCID 67128CAS 121-01-7

기본 정보

표준 SMILES: Nc1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIKey: HOTZLWVITTVZGY-UHFFFAOYSA-N
분자식: C7H5F3N2O2
평균 분자량: 206.12 g/mol
단동위원소 질량: 206.03031189

이름 및 식별자

우선 이름: 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine
IUPAC: 4-nitro-2-(trifluoromethyl)aniline
영어명: 2-Amino-5-nitrobenzotrifluoride
분자식: C7H5F3N2O2
분자량: 206.12

이름 및 동의어

121-01-74-Nitro-2-(trifluoromethyl)aniline4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidineEINECS 204-443-2DTXSID50153095RefChem:525877DTXCID4075586204-443-22-Amino-5-nitrobenzotrifluoride4-Nitro-2-trifluoromethylanilineMFCD000073654-Nitro-a,a,a-trifluoro-o-toluidine

이름 더 보기

2-Amino-5-nitro4-Nitro-2-(trifL4-Nitro-2-(trifluoro5-Aminobenzotrifluoride5-NITRO-2-AMINOBENZOTRIFLUORIDE

Benzenamine, 4-nitro-2-(trifluoromethyl)-4-nitro-2-(trifluoromethyl)phenylamine2-Amino-5-nitro-trifluorobenzeneEN300-173482-trifluoromethyl-4-nitroanilineSCHEMBL15323762-trifluormethyl-4-nitroaniline4-nitro-2-trifluoromethylanilin

데이터베이스 식별자

CAS: 121-01-7
PubChem CID: 67128
DTXSID: DTXSID50153095
EC Number: 204-443-2
Nikkaji: J150.127E

물성

구조 계산 물성

XLogP: 2
극성 표면적: 71.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 226

물리화학적 성질

녹는점: 90 · 90-92 °C(lit.)
끓는 점: 298 · 298.0±35.0 °C(Predicted)
밀도: 1.4711 · 1.4711 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): -1.92 · -1.92±0.36(Predicted)
물리적 상태: 가루
색상: 노란색에서 갈색으로
BRN: 2121347 · 2121347
InChI: InChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(12(13)14)1-2-6(5)11/h1-3H,11H2
InChIKey: HOTZLWVITTVZGY-UHFFFAOYSA-N
SMILES: C1(N)=CC=C([N+]([O-])=O)C=C1C(F)(F)F
NIST: 2 · 2-Amino-5-nitrobenzotrifluoride(121-01-7)

화학적 성질

YELLOW TO BROWN POWDER

안전 및 규제

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 29214300
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36/37-24/25-36
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 3건

개요4-Nitro-2-(trifluoromethyl)aniline undergoes diazotization and coupling with:N-hydroxyalkylamino-5-naptholspyrazolones and naptholsulphonic acidsN-(2-cyanoethyl)-N-(hydroxyalkyl)anilines

용도4-Nitro-2-(trifluoromethyl)aniline was used in the synthesis of monoazo dyes.

일반 설명4-Nitro-2-(trifluoromethyl)aniline undergoes diazotization and coupling with:N-hydroxyalkylamino-5-naptholspyrazolones and naptholsulphonic acidsN-(2-cyanoethyl)-N-(hydroxyalkyl)anilines