트리플르오르-1,2,3,-4니트로벤젠

1,2,3-Trifluoro-4-nitrobenzene

HCID 69871CAS 771-69-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=[N+]([O-])c1ccc(F)c(F)c1F
InChIKey: ARCACZWMYGILNI-UHFFFAOYSA-N
분자식: C6H2F3NO2
평균 분자량: 177.08 g/mol
단동위원소 질량: 177.00376296

이름 및 식별자

우선 이름: 1,2,3-Trifluoro-4-nitrobenzene
IUPAC: 1,2,3-trifluoro-4-nitrobenzene
현지명: 트리플르오르-1,2,3,-4니트로벤젠
영어명: 1,2,3-Trifluoro-4-nitrobenzene
분자식: C6H2F3NO2
분자량: 177.08

이름 및 동의어

1,2,3-Trifluoro-4-nitrobenzene771-69-72,3,4-Trifluoronitrobenzene4-Nitro-1,2,3-trifluorobenzene2,3,4-trifluoro-1-nitrobenzeneBenzene, 1,2,3-trifluoro-4-nitro-NKN86LZ8MMEINECS 212-238-4ARCACZWMYGILNI-UHFFFAOYSA-DTXSID30227889RefChem:71426DTXCID30150380

이름 더 보기

트리플르오르-1,2,3,-4니트로벤젠1,2,3-트라이플루오로-4-나이트로벤젠1,2,3-Trifluoro-4-ni4-chloro-2-fluroaniline4-Trifluoronitrobenzene3,4,5 TRIFLUORONITROBENZEN2,3,4-TRIFLUORONITROBRNZENE1,2,3-Trifluor-4-nitrobenzol2,3-Trifluoro-4-nitrobenzene1,2,3-Trifluoro-4-nitrobenzen

212-238-4ARCACZWMYGILNI-UHFFFAOYSA-NInChI=1/C6H2F3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2HMFCD00041546Trifluoronitrobenzene1,2,3-trifluoro-4-nitro-benzene2,3,4-TrifluornitrobenzeneUNII-NKN86LZ8MM

데이터베이스 식별자

CAS: 771-69-7
PubChem CID: 69871
DTXSID: DTXSID30227889
UNII: NKN86LZ8MM
EC Number: 212-238-4
Nikkaji: J106.079A

물성

구조 계산 물성

XLogP: 2.1
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: 184

물리화학적 성질

끓는 점: 92 °C/20 · 92 °C/20 mmHg (lit.)
밀도: 1.541 g/mL · 1.541 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.492(lit.)
인화점: 200 °F · 200 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: Light yellow to Yellow to Orange
Specific Gravity: 1.541 · 1.541
BRN: 2449746 · 2449746
InChI: InChI=1S/C6H2F3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
InChIKey: ARCACZWMYGILNI-UHFFFAOYSA-N
SMILES: C1(F)=CC=C([N+]([O-])=O)C(F)=C1F

화학적 성질

clear yellow liquid after melting

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 83 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: UN2810
HS 번호: 29042090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36/37/39-24/25
포장분류: III
위험 등급: 6.1
기존화학 물질: KE-34263
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2,3,4-Trifluoronitrobenzene was employed as starting reagent in the synthesis of ofloxacin. It was also used in the synthesis of the third generation quinolones antibacterial drugs.

일반 설명2,3,4-Trifluoronitrobenzene is a fluoronitrobenzene and its biotransformation under methanogenic conditions has been studied by semicontinuous and batch tests. 2,3,4-Trifluoronitrobenzene is an important pharmaceutical intermediate.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

山东前元高分子材料有限公司18678041314 18765609661 · [email protected]

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