1-메틸-5-(트리플루오로메틸)-1H-피라졸-4-카르복실산

1-Methyl-5-(trifluoromethyl)pyrazole-4-carboxylic Acid

HCID 2807771CAS 119083-00-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1ncc(C(=O)O)c1C(F)(F)F
InChIKey: VAKOSNKAXYJZRG-UHFFFAOYSA-N
분자식: C6H5F3N2O2
평균 분자량: 194.11 g/mol
단동위원소 질량: 194.03031189

이름 및 식별자

우선 이름: 1-Methyl-5-(trifluoromethyl)pyrazole-4-carboxylic Acid
IUPAC: 1-methyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
현지명: 1-메틸-5-(트리플루오로메틸)-1H-피라졸-4-카르복실산
영어명: 1-Methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
분자식: C6H5F3N2O2
분자량: 194.11

이름 및 동의어

1-methyl-5-(trifluoromethyl)pyrazole-4-carboxylic acidRefChem:434466824-664-31-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid119083-00-0MFCD041101821H-Pyrazole-4-carboxylic acid, 1-methyl-5-(trifluoromethyl)-Maybridge4_000816VAKOSNKAXYJZRG-UHFFFAOYSA-N1-Methyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acidSCHEMBL1196081DTXSID10384560

이름 더 보기

1-메틸-5-(트리플루오로메틸)-1H-피라졸-4-카르복실산BUTTPARK 99\18-231-Methyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ,97%

HMS1523F02SBB091682STL411793AKOS009227602SB13873IDI1_031398AC-27614DS-14837

데이터베이스 식별자

CAS: 119083-00-0
PubChem CID: 2807771
DTXSID: DTXSID10384560
EC Number: 824-664-3

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 218

물리화학적 성질

녹는점: 121 to · 121.0 to 125.0 °C
끓는 점: 285.6 · 285.6±40.0 °C(Predicted)
밀도: 1.56 · 1.56±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 2.93 · 2.93±0.36(Predicted)
색상: 흰색에서 밝은 노란색

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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, 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 2 reports by companies from 2 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.