3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
기본 정보
- CAS
80194-68-9- 표준 SMILES
O=C(O)c1ncc(C(F)(F)F)cc1Cl- InChIKey
HXRMCZBDTDCCOP-UHFFFAOYSA-N- 분자식
- C7H3ClF3NO2
- 평균 분자량
- 225.55 g/mol
- 단동위원소 질량
- 224.9804405
이름 및 식별자
- 우선 이름
- 3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
- IUPAC
- 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
- 영어명
- 3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
- 분자식
- C7H3ClF3NO2
- 분자량
- 225.55
이름 및 동의어
3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic AcidDTXSID101001096RefChem:500120DTXCID401428051692-407-080194-68-93-Chloro-5-(trifluoromethyl)picolinic acidMFCD002774823-Chloro-5-trifluoromethylpyridine-2-carboxylic acid2-PYRIDINECARBOXYLIC ACID, 3-CHLORO-5-(TRIFLUOROMETHYL)-3-Chloro-5-trifluoromethyl-pyridine-2-carboxylic acid3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINECARBOXYLIC ACID
이름 더 보기
3-CHLORO-5-(TRIFLUOROMETHYL)-A-PICOLINICBUTTPARK 27\01-873-Chloro-5-(trifluoromethyl)picolinicaci3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylateacid5-Chloro-3-(trifluoromethyl)-2-pyridinecarboxylic acid2-Pyridinecarboxylicacid, 3-chloro-5-(trifluoroMethyl)-2-pyridinecarboxylic acid, 3-chloro-6-(trifluoroMethyl)-3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylicacid,97%
HMS1665F08CCG-53260GEO-0322787OR96929T3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylicacidFluopyram-PCAUNII-87OR96929Tfluopicolide TP2
데이터베이스 식별자
- CAS
80194-68-9- PubChem CID
- 2821908
- DTXSID
DTXSID101001096- UNII
- 87OR96929T
- EC Number
- 692-407-0
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 50.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 233
실험 및 물리화학적 성질
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
물리화학적 성질
- 녹는점
- 141 · 141-143°
- 끓는 점
- 269.6 · 269.6±40.0 °C(Predicted)
- 밀도
- 1.603 · 1.603±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 1.77 · 1.77±0.25(Predicted)
- 색상
- 흰색에서 밝은 노란색
- InChI
- InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)
- InChIKey
- HXRMCZBDTDCCOP-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)=NC=C(C(F)(F)F)C=C1Cl
- EPA
- 2 · 2-Pyridinecarboxylic acid, 3-chloro-5-(trifluoromethyl)- (80194-68-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationCommission Regulation (EU) No 188/2011
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- HS 번호
- 2933399990
- 위험 등급
- IRRITANT
화학 및 산업
용도 및 제조
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
상·하류 제품 정보
하류 제품
관련 반응
21건
화합물 노트
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