기본 정보
- 표준 SMILES
Cc1c(F)c(F)c(CO)c(F)c1F- InChIKey
PJCSTULKVNHEGW-UHFFFAOYSA-N- 분자식
- C8H6F4O
- 평균 분자량
- 194.13 g/mol
- 단동위원소 질량
- 194.03547746
이름 및 식별자
- 우선 이름
- 4-Methyl-2,3,5,6-tetrafluorobenzyl alcohol
- IUPAC
- (2,3,5,6-tetrafluoro-4-methylphenyl)methanol
- 영어명
- 2,3,5,6-Tetrafluoro-4-methylbenzyl alcohol
- 분자식
- C8H6F4O
- 분자량
- 194.13
이름 및 동의어
79538-03-74-methyl-2,3,5,6-tetrafluorobenzyl alcoholRefChem:10710712,3,5,6-Tetrafluoro-4-methylbenzyl alcohol(2,3,5,6-tetrafluoro-4-methylphenyl)methanolMFCD030932602,3,5,6-Tetrafluoro-4-methylbenzylalcohol2,3,5,6-Tetrafluoro-4-methylbenzenemethanol2,3,5,6-(Tetrafluoro-4-methylphenyl)methanol;(2,3,5,6-Tetrafluoro-4-methylphenyl)methanolBenzenemethanol, 2,3,5,6-tetrafluoro-4-methyl-Tefluthrin metabolite II4-methyl-2,3,5,6-tetrafluoro lbenzyl alcohol
이름 더 보기
2,3,5,6-TETRAFLUORO-4-METHYLBENYL ALCOHOL4-methyl-2,3,5,6-tetrafluorolbenzylalcohol4-METHYL-2,3,5,6-TETRAFLUOROBENZENEMETHANOL2,3,5,6-Tetrafluoro-4-methylbenzyl alcohol Basic information(4-Methyl-2,3,5,6-tetrafluorophenyl)methanol, 4-(Hydroxymethyl)-2,3,5,6-tetrafluorotoluene
(2,3,5,6-tetrafluoro-4-methyl-phenyl)methanol(2,3,5,6-tetrafluoro-4-methylphenyl)methan-1-olSCHEMBL359368Tefluthrin Related Compound 1SCHEMBL1073230SCHEMBL9311187tetrafluoro-4-methylbenzylalcoholDTXSID50370164
데이터베이스 식별자
- CAS
79538-03-7- PubChem CID
- 2734209
- DTXSID
DTXSID50370164- EC Number
- 453-520-9、616-698-0
- Nikkaji
- J1.797.219G
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 162
물리화학적 성질
- 녹는점
- 61 · 61-62°C
- 끓는 점
- 201.4 · 201.4±35.0 °C(Predicted)
- 밀도
- 1.423 · 1.423±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 12.95 · 12.95±0.10(Predicted)
- 색상
- 흰색에서 황백색까지
- InChI
- InChI=1S/C8H6F4O/c1-3-5(9)7(11)4(2-13)8(12)6(3)10/h13H,2H2,1H3
- InChIKey
- PJCSTULKVNHEGW-UHFFFAOYSA-N
- SMILES
- C1(CO)=C(F)C(F)=C(C)C(F)=C1F
화학적 성질
Colorless solid
안전 및 규제
유해성 정보
Regulatory InformationStatus: No longer Valid Update: 08-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/4667
규제 정보
Regulatory InformationStatus: No longer Valid Update: 08-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/4667
안전 데이터
- HS 번호
- 2906290020
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- 위험 참고 사항
- Irritant
화학 및 산업
용도 및 제조
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
상·하류 제품 정보
상류 원료
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