5-클로로-1-메틸-3-(트리플루오로메틸)피라졸-4-카르복스알데히드

5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde

HCID 1478459

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 128455-62-9
표준 SMILES: Cn1nc(C(F)(F)F)c(C=O)c1Cl
InChIKey: PZOZNOVIRZSNHJ-UHFFFAOYSA-N
분자식: C6H4ClF3N2O
평균 분자량: 212.56 g/mol
단동위원소 질량: 211.9964249

이름 및 식별자

우선 이름: 5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
IUPAC: 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
현지명: 5-클로로-1-메틸-3-(트리플루오로메틸)피라졸-4-카르복스알데히드
영어명: 5-Chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxaldehyde
분자식: C6H4ClF3N2O
분자량: 212.56

이름 및 동의어

128455-62-95-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehydeDTXSID80363145RefChem:534300DTXCID80314192672-009-35-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde5-Chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxaldehydeMFCD000681301H-Pyrazole-4-carboxaldehyde, 5-chloro-1-methyl-3-(trifluoromethyl)-AB027711-methyl-3-trifluoromethyl-5-chloropyrazole-4-carboxaldehyde

이름 더 보기

5-클로로-1-메틸-3-(트리플루오로메틸)피라졸-4-카르복스알데히드AKOS B029556BUTTPARK 46\18-83TIMTEC-BB SBB0005273-trifluoromethyl-1-methyl-1H-5-chloropyrazole-4-carbaldehyde5-chloro-l-methyl-3- trifluoromethyl-4-pyrazolecarboxaldehyde5-chloro-1-methyl-3-(trifluoromethyl)-4-pyrazolecarboxaldehyde5-Chloro-1-methyl-3-(trifluoromethyl0pyrazole-4-carboxaldehyde

5-chloro-1-methyl-3-trifluoromethyl-1h-pyrazole-4-carbaldehyde5-chloro-1-methyl-3-(trifluoromethyl)-1h-pyrazole-4-carboxaldehyde5-Chloro-4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazoleAMY12267BB 03040401H-Pyrazole-4-carboxaldehyde,5-chloro-1-methyl-3-(trifluoromethyl)-5-chloro-1-methyl-3-(trifSCHEMBL757178

데이터베이스 식별자

CAS: 128455-62-9
PubChem CID: 1478459
DTXSID: DTXSID80363145
EC Number: 672-009-3

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 34.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 211

물리화학적 성질

녹는점: 42 · 42-44°C
끓는 점: 239.6 · 239.6±40.0 °C(Predicted)
밀도: 1.56 · 1.56±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -4.03 · -4.03±0.10(Predicted)
InChI: InChI=1S/C6H4ClF3N2O/c1-12-5(7)3(2-13)4(11-12)6(8,9)10/h2H,1H3
InChIKey: PZOZNOVIRZSNHJ-UHFFFAOYSA-N
SMILES: N1(C)C(Cl)=C(C=O)C(C(F)(F)F)=N1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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 3 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.