기본 정보
- 표준 SMILES
Fc1cccc(C(F)(F)F)c1- InChIKey
GBOWGKOVMBDPJF-UHFFFAOYSA-N- 분자식
- C7H4F4
- 평균 분자량
- 164.1 g/mol
- 단동위원소 질량
- 164.02491301
이름 및 식별자
- 우선 이름
- alpha,alpha,alpha,3-Tetrafluorotoluene
- IUPAC
- 1-fluoro-3-(trifluoromethyl)benzene
- 영어명
- 3-Fluorobenzotrifluoride
- 분자식
- C7H4F4
- 분자량
- 164.1
이름 및 동의어
3-Fluorobenzotrifluoride401-80-9alpha,alpha,alpha,3-TetrafluorotolueneTrifluoromethyl-3-fluorobenzene3-Fluoro(trifluoromethyl)benzeneEINECS 206-933-11-Fluoro-3-(trifluoro-methyl)benzeneDTXSID20193140NSC 10315m,alpha,alpha,alpha-Tetrafluorotoluene.alpha.,.alpha.,.alpha.,3-Tetrafluorotoluenem,.alpha.,.alpha.,.alpha.-Tetrafluorotoluene
이름 더 보기
1-FLUORO-3-(TRIFLUOROMETHYL)BENZENECL0523-Fluorobenzotrifluo3-tetrafluorotoluene3-Fluorobezotrifluoride-Fluorobenzotrifluoridem-fluorotrifluorotoluene3-Flourobenzo triflurideM-FLUOROBENZOTRIFLUORIDE
Toluene, .alpha.,.alpha.,.alpha.-m-tetrafluoro-Toluene, m,.alpha.,.alpha.,.alpha.-tetrafluoro-RefChem:111007DTXCID30115631Toluene, alpha,alpha,alpha-m-tetrafluoro-Toluene, m,alpha,alpha,alpha-tetrafluoro-206-933-1GBOWGKOVMBDPJF-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
401-80-9- PubChem CID
- 67867
- DTXSID
DTXSID20193140- UNII
- TF2C9NB7GG
- EC Number
- 206-933-1
- Nikkaji
- J95.633C
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 129
실험 및 물리화학적 성질
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
물리화학적 성질
- 녹는점
- -81.5 °C · -81.5°C
- 끓는 점
- 101 · 101-102 °C(lit.)
- 밀도
- 1.302 g/mL · 1.302 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.4(lit.)
- 인화점
- 45 °F · 45 °F
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 클로로포름에 용해됨
- 물리적 상태
- 기름
- 색상
- 투명 무색
- Specific Gravity
- 1.302 · 1.302
- BRN
- 2045664 · 2045664
- InChI
- InChI=1S/C7H4F4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
- InChIKey
- GBOWGKOVMBDPJF-UHFFFAOYSA-N
- SMILES
- C1(F)=CC=CC(C(F)(F)F)=C1
- NIST
- 1 · 1-Fluoro-3-(trifluoro-methyl)benzene(401-80-9)
화학적 성질
Clear colourless to light yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (96.2%): 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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24957
Hazard Classes and CategoriesFlam. Liq. 2 (96.2%)
안전 데이터
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- HS 번호
- 29039990
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
- safety_code
- 16-26-36-24/25-33-7/9
- 포장분류
- II
- 위험 등급
- 3
- 위험 참고 사항
- Flammable/Irritant
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도3-Fluorobenzotrifluoride is a fluorniated toluene used in photochemical reactions with aliphatic amines as well as in photocycloaddition reactions.
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상류 원료
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