기본 정보
- 표준 SMILES
FC(F)(F)c1ccccc1Cl- InChIKey
DGRVQOKCSKDWIH-UHFFFAOYSA-N- 분자식
- C7H4ClF3
- 평균 분자량
- 180.55 g/mol
- 단동위원소 질량
- 179.9953623
이름 및 식별자
- 우선 이름
- 1-Chloro-2-(trifluoromethyl)benzene
- IUPAC
- 1-chloro-2-(trifluoromethyl)benzene
- 현지명
- o-클로로벤조트리플루오라이드
- 영어명
- 2-Chlorobenzotrifluoride
- 분자식
- C7H4ClF3
- 분자량
- 180.55
이름 및 동의어
2-Chlorobenzotrifluoride88-16-41-Chloro-2-(trifluoromethyl)benzeneo-ChlorobenzotrifluorideChlorobenzotrifluoride2-Chloro(trifluoromethyl)benzeneo-(Trifluoromethyl)chlorobenzeneBenzene, 1-chloro-2-(trifluoromethyl)-2-Chloro-alpha,alpha,alpha-trifluorotolueneo-(Trifluoromethyl)phenyl chloride52181-51-8o-Chloro-alpha,alpha,alpha-trifluorotoluene
이름 더 보기
o-클로로벤조트리플루오라이드2-클로로벤조트리플루오라이드2-클로로벤조트라이플루오라이드2-Chloro-alpha2-Chlorobenzotrifluo2-Chlorobezotrifluorideo-TrifluoromethylphenylO-CHLOROBENZOTRIFLURIDE2-CHLOROTRIFLUOROTOLUENE
Benzene, chloro(trifluoromethyl)-Chlorotrifluorotoluene(Trifluoromethyl)chlorobenzeneCHLORO(TRIFLUOROMETHYL)BENZENENSC 10307CCRIS 2809DTXSID90247742-(TRIFLUOROMETHYL)CHLOROBENZENE
데이터베이스 식별자
- CAS
52181-51-8、88-16-4- PubChem CID
- 6921
- DTXSID
DTXSID9024774- ChEMBL
CHEMBL1301432- UNII
- 0V2SO8M97N
- EC Number
- 201-805-1
- Nikkaji
- J61.498J
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 132
실험 및 물리화학적 성질
Density1.254 @ 30°C
Boiling Point152.2 °C @760 [mm Hg]
Kovats Retention Index883.4；883.4
물리화학적 성질
- 녹는점
- -7.4 °C · -7.4 °C
- 끓는 점
- 152 °C · 152 °C(lit.)
- 밀도
- 1.379 g/mL · 1.379 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.456(lit.)
- 인화점
- 138 °F · 138 °F
- 저장 조건
- Flammables area
- 물리적 상태
- 투명한 액체
- 색상
- 무색~연황색
- Specific Gravity
- 1.379 · 1.379
- 폭발한계
- 1.7 % · 1.7%(V)
- 수용성
- 19.5 · 19.5&C에서 <0.1g/100mL
- BRN
- 510993 · 510993
- 안정성
- 안정적인. 가연성. 강한 산화제, 강한 염기와 호환되지 않습니다.
- InChI
- 1S/C7H4ClF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
- InChIKey
- DGRVQOKCSKDWIH-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1ccccc1Cl
- NIST
- 1 · Benzene, 1-chloro-2-(trifluoromethyl)-(88-16-4)
- EPA
- 2 · 2-Chlorobenzotrifluoride (88-16-4)
화학적 성질
Clear colourless to light yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H226 (90.8%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (76.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (88%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (88%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 284 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Regulatory Information
Chemical: Benzene, 1-chloro-2-(trifluoromethyl)-
1-Chloro-2-(trifluoromethyl)-benzene: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazard Classes and Categories
Flam. Liq. 3 (90.8%)；Acute Tox. 4 (76.8%)；Skin Irrit. 2 (88%)；Eye Irrit. 2 (88%)；STOT SE 3 (87.7%)
Flammable agents - 2nd degree, Reactive agents - 1st degree
안전 및 보호
Protective Action Criteria (PAC)
20 [mg/m3]
220 [mg/m3]
1300 [mg/m3]
규제 정보
Regulatory Information
Chemical: Benzene, 1-chloro-2-(trifluoromethyl)-
1-Chloro-2-(trifluoromethyl)-benzene: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XS9141000
- ridadr
- UN 2234 (CHLOROBENZOTRIFLUORIDES)
- HS 번호
- 29036990
- risk_code
- 10-36/37/38-22
- hazard_code
- Xi,F,Xn,N
- safety_code
- 26-36-36/37/39-16
- 포장분류
- III
- 위험 등급
- 3
- 위험 참고 사항
- Flammable/Irritant
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzene, 1-chloro-2-(trifluoromethyl)-: ACTIVE
응용 분야
용도Dye intermediate, chemical intermediate, solvent, and dielectric fluid.
상·하류 제품 정보
상류 원료
하류 제품
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