1,3,5-트리플루오로벤젠

1,3,5-Trifluorobenzene

HCID 9745CAS 372-38-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Fc1cc(F)cc(F)c1
InChIKey: JXUKFFRPLNTYIV-UHFFFAOYSA-N
분자식: C6H3F3
평균 분자량: 132.08 g/mol
단동위원소 질량: 132.01868476

이름 및 식별자

우선 이름: 1,3,5-Trifluorobenzene
IUPAC: 1,3,5-trifluorobenzene
현지명: 1,3,5-트리플루오로벤젠
영어명: 1,3,5-Trifluorobenzene
분자식: C6H3F3
분자량: 132.08

이름 및 동의어

1,3,5-TRIFLUOROBENZENE372-38-3sym-TrifluorobenzeneBN94C411F8NSC-10264DTXSID90190686RefChem:72337DTXCID30113177206-751-2Benzene, 1,3,5-trifluoro-MFCD00000333UNII-BN94C411F8

이름 더 보기

1,3,5-트리플루오로벤젠1,3,5-Trifluorobenze1,3,5-TrifLTrifluorobenzene31,3,5-TRIFLUOTOBENZENE1,3,5-Trifluorobenzene 98%1,3,5-trifluorobenzoic acid

1,3,5-TRIFLUORO BENZENEEINECS 206-751-21,3,5-trifluorbenzol1,3,5-tri-fluorobenzene1,3,5-Trifluorobenzene #SCHEMBL57470SCHEMBL449836SCHEMBL5167497

데이터베이스 식별자

CAS: 372-38-3
PubChem CID: 9745
DTXSID: DTXSID90190686
UNII: BN94C411F8
EC Number: 206-751-2
Nikkaji: J95.390C

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 63.3

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials PropertiesSchoenflies notation

Vapor Pressure104.0 [mmHg]

Physical DescriptionColorless liquid; [MSDSonline]

물리화학적 성질

녹는점: -5.5 °C · -5.5 °C (lit.)
끓는 점: 75 · 75-76 °C (lit.)
밀도: 1.277 g/mL · 1.277 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.414(lit.)
인화점: 19 °F · 19 °F
저장 조건: Flammables area
물리적 상태: 투명한 액체
Specific Gravity: 1.277 · 1.277
색상: 무색 내지 거의 무색
수용성: 물에 불용성.
BRN: 1906457 · 1906457
InChI: InChI=1S/C6H3F3/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey: JXUKFFRPLNTYIV-UHFFFAOYSA-N
SMILES: C1(F)=CC(F)=CC(F)=C1
NIST: 1 · 1,3,5-Trifluorobenzene(372-38-3)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (97.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryAn irritant; [MSDSonline]

Hazard Classes and CategoriesFlam. Liq. 2 (97.9%)

안전 데이터

wgk: 2
ridadr: UN 1993 3/PG 2
HS 번호: 29039990
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 16-26-36-7-33-29-7/9
포장분류: II
위험 등급: 3
위험 참고 사항: Flammable
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도1,3,5-Trifluorobenzene was used in the synthesis of (-)-epicatechin and its 3-O-gallate. It is also used as an intermediate in organic chemical synthesis.

일반 설명Rotational Raman spectra of 1,3,5-trifluorobenzene has been studied under high resolution using a single mode argon laser as the exciting source. Proton and fluorine magnetic resonance spectra of 1,3,5-trifluorobenzene in a nematic liquid crystal has been analyzed.

상·하류 제품 정보

상류 원료

하류 제품

3,5-Difluorophenylacetic acid 2,4,6-트리플루오로벤조산 2,4,6-Trifluorobenzenesulfonyl chloride 1-Bromo-2,4,6-trifluorobenzene 2,4,6-Trifluoroiodobenzene 1,3,5-트리페닐벤젠

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]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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