3-에틸-1-메틸-1H-피라졸-5-카르복실산

3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid

HCID 820565CAS 26308-42-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCc1cc(C(=O)O)n(C)n1
InChIKey: AYPCLZDGADHRDL-UHFFFAOYSA-N
분자식: C7H10N2O2
평균 분자량: 154.17 g/mol
단동위원소 질량: 154.07422757

이름 및 식별자

우선 이름: 3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid
IUPAC: 3-ethyl-1-methylpyrazole-5-carboxylic acid
현지명: 3-에틸-1-메틸-1H-피라졸-5-카르복실산
영어명: 3-ETHYL-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
분자식: C7H10N2O2
분자량: 154.17

이름 및 동의어

26308-42-93-Ethyl-1-Methyl-1H-Pyrazole-5-Carboxylic AcidRefChem:501281821-599-25-Ethyl-2-methyl-2H-pyrazole-3-carboxylic acid1H-Pyrazole-5-carboxylic acid, 3-ethyl-1-methyl-3-ethyl-1-methylpyrazole-5-carboxylic acid5-ethyl-2-methylpyrazole-3-carboxylic acidMFCD03086079SB36277SY192490CS-0096252

이름 더 보기

3-에틸-1-메틸-1H-피라졸-5-카르복실산AKOS PAO-0874CHEMBRDG-BB 4402465TIMTEC-BB SBB010349ASINEX-REAG BAS 077512055-ethyl-2-methyl-3-pyrazolecarboxylic acid5-ethyl-2-methyl-pyrazole-3-carboxylic acid

5-ethyl-AM807133Sildenafil Impurity 227SCHEMBL3435033-ETHYL-1-METHYL-1H-PYRAZOLE-5-CARBOXYLICACIDDTXSID001381536HMS1699A08ALBB-014915

데이터베이스 식별자

CAS: 26308-42-9
PubChem CID: 820565
DTXSID: DTXSID001381536
EC Number: 821-599-2

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 161

물리화학적 성질

끓는 점: 320.8 · 320.8±30.0 °C(Predicted)
밀도: 1.23 · 1.23±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 3.11 · 3.11±0.25(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): 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 (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, 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.