3-Chloro-5-(trifluoromethyl)pyridin-2-ol

HCID 725436CAS 76041-71-9

기본 정보

표준 SMILES: O=c1[nH]cc(C(F)(F)F)cc1Cl
InChIKey: AJPOOWWMZOPUCG-UHFFFAOYSA-N
분자식: C6H3ClF3NO
평균 분자량: 197.543 g/mol
단동위원소 질량: 196.98552606

이름 및 식별자

우선 이름: 3-Chloro-5-(trifluoromethyl)pyridin-2-ol
IUPAC: 3-Chloro-5-(trifluoromethyl)pyridin-2-ol
영어명: 3-Chloro-2-hydroxy-5-(trifluoromethyl)pyridine
분자식: C6H3ClF3NO
분자량: 197.54

이름 및 동의어

3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-OLBUTTPARK 45\01-15Haloxyfop-pyridinol Metabolite2-hydroxy-3-chloro-5-trifluoropyridine3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINOL3-Chloro-5-(trifluoroMethyl)pyridin-2(3H)-one3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one3-Chloro-2-hydroxy-5-(trifloromethyl)pyridine3-Chloro-5-(trifluoromethyl)pyridin-2(1H)-one3-Chloro-5-(trifluoromethyl)-2-hydroxypyridine

데이터베이스 식별자

CAS: 76041-71-9、79623-37-3
PubChem CID: 725436
DTXSID: DTXSID901000628
EC Number: 625-371-1
Nikkaji: J752.351C

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 279

물리화학적 성질

녹는점: 159 · 159-161 °C (lit.)
끓는 점: 234.6 · 234.6±40.0 °C(Predicted)
밀도: 1.53 · 1.53±0.1 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 8.06 · 8.06±0.10(Predicted)
물리적 상태: 고체
InChI: 1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)
InChIKey: AJPOOWWMZOPUCG-UHFFFAOYSA-N
SMILES: Oc1ncc(cc1Cl)C(F)(F)F

화학적 성질

White to light yellow solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H300 (88.4%): Fatal if swallowed [Danger Acute toxicity, oral]；H315 (95.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 43 reports by companies from 6 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

Hazard Classes and CategoriesAcute Tox. 2 (88.4%)；Skin Irrit. 2 (95.3%)；Eye Irrit. 2 (95.3%)；STOT SE 3 (95.3%)

안전 데이터

wgk: 3
HS 번호: 29333990
risk_code: 25-36/37/38
hazard_code: T,Xi
safety_code: 26-36/37-45
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

상·하류 제품 정보

상류 원료

공급사36 곳

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

上海景颜化工科技有限公司13817811078 · [email protected]

연결된 노트

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