기본 정보
- CAS
1489-53-8- 표준 SMILES
Fc1cccc(F)c1F- InChIKey
AJKNNUJQFALRIK-UHFFFAOYSA-N- 분자식
- C6H3F3
- 평균 분자량
- 132.08 g/mol
- 단동위원소 질량
- 132.01868458
이름 및 식별자
- 우선 이름
- 1,2,3-Trifluorobenzene
- IUPAC
- 1,2,3-trifluorobenzene
- 영어명
- 1,2,3-Trifluorobenzene
- 분자식
- C6H3F3
- 분자량
- 132.08
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1489-53-8- PubChem CID
- 15147
- DTXSID
DTXSID90164125- EC Number
- 625-446-9
- Nikkaji
- J149.700F
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 84
물리화학적 성질
- 끓는 점
- 94 · 94-95 °C (lit.)
- 밀도
- 1.28 g/mL · 1.28 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.423(lit.)
- 인화점
- 25 °F · 25 °F
- 저장 조건
- Flammables area
- 물리적 상태
- 투명한 액체
- 색상
- Colorless to Light orange to Yellow
- Specific Gravity
- 1.28 · 1.280
- BRN
- 1862388 · 1862388
- 안정성
- 안정적인. 가연성이 높습니다. 강한 산화제와 호환되지 않습니다.
- InChI
- InChI=1S/C6H3F3/c7-4-2-1-3-5(8)6(4)9/h1-3H
- InChIKey
- AJKNNUJQFALRIK-UHFFFAOYSA-N
- SMILES
- C1(F)=CC=CC(F)=C1F
화학적 성질
colourless liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 5.8% (3 of 52) of reports.
Danger
H225 (92.3%): Highly Flammable liquid and vapor [Danger Flammable liquids];H315 (90.4%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (92.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (90.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 52 reports by companies.;There are 9 notifications provided by 49 of 52 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
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
- 16-26-36/37/39-37/39-33-7/9
- 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
용도1,2, 3-trifluorobenzene is an organic fluorine compound, mainly used as an intermediate in the production of drugs, agricultural chemicals and dyes.
일반 설명Crystal structure 1,2,3-trifluorobenzene was reported. The microwave spectrum of 1,2,3-trifluorobenzene was studied using a molecular beam Fourier transform microwave spectrometer. Laser-induced fluorescence spectra of the radical cation of 1,2,3-trifluorobenzene was determined in both the gas phase and solid Ne matrices.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
관련 반응
화합물 노트
불러오는 중…