1,2,3-Trifluoro-5-nitrobenzene

HCID 2782793

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 66684-58-0
표준 SMILES: O=[N+]([O-])c1cc(F)c(F)c(F)c1
InChIKey: PTTUMBGORBMNBN-UHFFFAOYSA-N
분자식: C6H2F3NO2
평균 분자량: 177.08 g/mol
단동위원소 질량: 177.00376296

이름 및 식별자

우선 이름: 1,2,3-Trifluoro-5-nitrobenzene
IUPAC: 1,2,3-trifluoro-5-nitrobenzene
영어명: 3,4,5-Trifluoronitrobenzene
분자식: C6H2F3NO2
분자량: 177.08

이름 및 동의어

1,2,3-Trifluoro-5-nitrobenzene3,4,5-Trifluoronitrobenzene66684-58-0EINECS 266-447-0DTXSID40985261RefChem:410858DTXCID901412457266-447-01,2,3-trifluoro-5-nitro-benzeneMFCD004568033,4,5-trifluoro-nitrobenzeneBenzene, 1,2,3-trifluoro-5-nitro-

이름 더 보기

3,4,5-Trifluoronitro5-TrifluoronitrobenzenePibrentasvir Impurity 175-Nitro-1,2,3-trifluorobenzene1-NITRO-3,4,5-TRIFLUOROBENZENE3,4,5-Trifluoronitrobenzene, 98.5%3,4,5-TRIFLUORO NITROBENZENE 99% MINIMUM

3,4,5-trifluronitrobenzeneSCHEMBL146415SCHEMBL2396663,4,5-trifluoronitro benzeneCS-D14183,4,5-Trifluoronitrobenzene, 97%CX1181SBB063657

데이터베이스 식별자

CAS: 66684-58-0
PubChem CID: 2782793
DTXSID: DTXSID40985261
EC Number: 266-447-0
Nikkaji: J310.134G

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

끓는 점: 208.6 · 208.6±35.0 °C(Predicted)
밀도: 1.517 g/mL · 1.517 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.486(lit.)
인화점: 167 °F · 167 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: Light yellow to Yellow to Orange
BRN: 2455018 · 2455018
InChI: InChI=1S/C6H2F3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H
InChIKey: PTTUMBGORBMNBN-UHFFFAOYSA-N
SMILES: C1(F)=CC([N+]([O-])=O)=CC(F)=C1F

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300 (84.8%): Fatal if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 2 (84.8%)

안전 데이터

wgk: 3
ridadr: UN 2810 6.1/PG 3
HS 번호: 29049090
risk_code: 25
hazard_code: T,Xi
safety_code: 45
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 2 Oral
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

응용 분야 · 1건

용도3,4,5-Trifluoronitrobenzene is a nitrobenzene derivative that has been shown to be stable in the environment. 3,4,5-Trifluoronitrobenzene has been detected in environmental samples and is considered to be a potential pollutant. This compound is not expected to bioaccumulate significantly due to its low water solubility. The liquid crystal properties of 3,4,5-trifluoronitrobenzene are also studied for potential application in display technologies.