프로로(4-)-3니트로벤조트리풀로라이드

4-Fluoro-3-nitrobenzotrifluoride

HCID 67778CAS 367-86-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=[N+]([O-])c1cc(C(F)(F)F)ccc1F
InChIKey: HLDFCCHSOZWKAA-UHFFFAOYSA-N
분자식: C7H3F4NO2
평균 분자량: 209.1 g/mol
단동위원소 질량: 209.00999122

이름 및 식별자

우선 이름: 4-Fluoro-3-nitrobenzotrifluoride
IUPAC: 1-fluoro-2-nitro-4-(trifluoromethyl)benzene
현지명: 프로로(4-)-3니트로벤조트리풀로라이드
영어명: 4-Fluoro-3-nitrobenzotrifluoride
분자식: C7H3F4NO2
분자량: 209.1

이름 및 동의어

4-Fluoro-3-nitrobenzotrifluoride367-86-2Benzene, 1-fluoro-2-nitro-4-(trifluoromethyl)-3-Nitro-alpha,alpha,alpha,4-tetrafluorotolueneSFN4U7RYL9NSC-10303DTXSID5073169RefChem:1070672DTXCID6039219206-702-51-Fluoro-2-nitro-4-(trifluoromethyl)benzene3-nitro-4-fluorobenzotrifluoride

이름 더 보기

프로로(4-)-3니트로벤조트리풀로라이프로로(4-)-3니트로벤조트리풀로라이드4-플루오로-3-나이트로벤조트라이플루오라이드4-플루오로-3-니트로벤조트리플루오라이드FNBTTIMTEC-BB SBB0099024-Fluoro-3-nitrobenzFluoro-3-nitrobenzotrifluor4-Fluoro-3-nitrobenzofluoride4-Fluoro-3-Nitrobenzotrifluori3-nitro-4-fluorotrifluorotoluol4-fluoro-3-nitrbenzotrifluoride

MFCD00007059EINECS 206-702-5SCHEMBL59613-Nitro-4-fluoro benzotrifluoride2-fluoro-5-trifluoromethyl nitrobenzene2-nitro-4-trifluoromethylfluoro-benzene4-Fluoro-3-nitrobenzotrifluoride, 99%D70871

데이터베이스 식별자

CAS: 367-86-2
PubChem CID: 67778
DTXSID: DTXSID5073169
UNII: SFN4U7RYL9
EC Number: 206-702-5
Nikkaji: J193.882G

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 225

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

끓는 점: 92 °C15 · 92 °C15 mm Hg(lit.)
밀도: 1.494 g/mL · 1.494 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.462(lit.)
인화점: 92 °F · 92 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(소량으로 용해), 메탄올(소량으로 용해)
물리적 상태: 액체
색상: 진한 녹황색
수용성: 물에 불용성.
BRN: 1880508 · 1880508
InChI: 1S/C7H3F4NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H
InChIKey: HLDFCCHSOZWKAA-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cc(ccc1F)C(F)(F)F
NIST: 4 · 4-Fluoro-3-nitrobenzotrifluoride(367-86-2)
EPA: 1 · Benzene, 1-fluoro-2-nitro-4-(trifluoromethyl)- (367-86-2)

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (87.8%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (87.8%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 3
HS 번호: 29049090
risk_code: 10-36/37/38
hazard_code: Xi,F
safety_code: 26-24/25-16
포장분류: III
위험 등급: 6.1
위험 참고 사항: Flammable/Irritant
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도4-Fluoro-3-nitrobenzotrifluoride is used in the pre-column derivatization technique for HPLC with UV/VIS spectrophotometric detection of polyamines. It may be used as derivatization reagent for the HPLC determination of polyamines. It was also used in the synthesis of 2-nitro-4-trifluoromethylphenylhydrazine, derivatization reagent for 1,2-diol compounds and oxo-steroids. [3-(2-nitro-4-trifluoromethylphenyl)aminophenyl]dihydroxyborane, derivatization reagent for 1,2-diol compounds and oxo-steroids3 1-(3-chlorophenyl)-5-trifluoromethyl-3-hydrobenzimidazol-2-one