3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid (HCID 2821908)

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-0322787OR96929TFluopyram-PCAUNII-87OR96929Tfluopicolide TP23-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylicacid

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 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 233

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

GHS 분류

GHS Classification · 5건

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]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.；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.