기본 정보
- 표준 SMILES
Oc1ccc(C(F)(F)F)cc1Cl- InChIKey
YNWKEXMSQQUMEL-UHFFFAOYSA-N- 분자식
- C7H4ClF3O
- 평균 분자량
- 196.55 g/mol
- 단동위원소 질량
- 195.99027709
이름 및 식별자
- 우선 이름
- 2-Chloro-4-(trifluoromethyl)phenol
- IUPAC
- 2-chloro-4-(trifluoromethyl)phenol
- 영어명
- 3-Chloro-4-hydroxybenzotrifluoride
- 분자식
- C7H4ClF3O
- 분자량
- 196.55
이름 및 동의어
2-chloro-4-(trifluoromethyl)phenol35852-58-5DTXSID30371472RefChem:258723DTXCID90322506670-858-43-Chloro-4-hydroxybenzotrifluoride2-Chloro-4-(trifuloromethyl)phenol2-chloro-4-trifluoromethylphenolMFCD000422172-chloro-4-trifluoromethyl phenolchloro-4-trifluoromethyl-phenol
이름 더 보기
3-Chloro-4-hydroxybe3-chloro-4-hydroxytrifluoromethylene3-Chloro-4-hydroxybenzotrifluoride98%3-Chloro-4-hydroxybenzotrifluoride 98%2-chloro-4-(trifluoromethyl)phenol - [C86577]
CK1181AKOS009158814AC-3779C33552-chloro-alpha,alpha,alpha-trifluoro-p-cresolEN300-1253182Phenol, 2-chloro-4-(trifluoromethyl)-2-chloro-4-trifluoromethylphenl
데이터베이스 식별자
- CAS
35852-58-5- PubChem CID
- 2736603
- DTXSID
DTXSID30371472- EC Number
- 670-858-4
- Nikkaji
- J1.519.761G
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 159
물리화학적 성질
- 끓는 점
- 66 °C/13mmHg · 66°C/13mmHg(lit.)
- 밀도
- 1.474 · 1.474±0.06 g/cm3(Predicted)
- 굴절률
- 1.474 to · 1.4740 to 1.4780
- 인화점
- 68 °C · 68°C(lit.)
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- 7.09 · 7.09±0.18(Predicted)
- 색상
- 무색~연황색
- InChI
- InChI=1S/C7H4ClF3O/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3,12H
- InChIKey
- YNWKEXMSQQUMEL-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(C(F)(F)F)C=C1Cl
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: Phenol, 2-chloro-4-(trifluoromethyl)
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- HS 번호
- 2933499090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- 위험 등급
- IRRITANT
화학 및 산업
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