3-에틸-1-메틸-1H-피라졸-5-카르복실산

3-에틸-1-메틸-1H-피라졸-5-카르복실산 · AKOS PAO-0874 · CHEMBRDG-BB 4402465 · TIMTEC-BB SBB010349 · ASINEX-REAG BAS 07751205 · 3-ETHYL-1-METHYLPYRAZOLE-5-CARBOXYLIC ACID · 5-ethyl-2-methyl-3-pyrazolecarboxylic acid · 5-ethyl-2-methylpyrazole-3-carboxylic acid

https://huagongshe.com/ko/chemical/820565

식별자 및 물리적 특성

CAS No.	26308-42-9
분자식	C7H10N2O2
평균 분자량	154.17 g/mol
단동위원소 질량	154.07422757 g/mol
SMILES	CCc1cc(C(=O)O)n(C)n1
InChIKey	AYPCLZDGADHRDL-UHFFFAOYSA-N
PubChem CID	820565
EC No.	821-599-2
DTXSID	DTXSID001381536
현지명	3-에틸-1-메틸-1H-피라졸-5-카르복실산

화학 및 물리적 성질

XLogP	0.9
극성 표면적	55.1
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	2
무거운 원자 수	11
형식 전하	0
복잡도	161
끓는 점	320.8±30.0 °C(Predicted)
밀도	1.23±0.1 g/cm3(Predicted)
저장 조건	2-8°C
pKa(산도 계수)	3.11±0.25(Predicted)

안전 및 규제

GHS 분류	WarningH302 (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 exposureRespiratory 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.
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
위험 표시	Xi
위험 등급	IRRITANT

3-에틸-1-메틸-1H-피라졸-5-카르복실산

CAS No.

26308-42-9

분자식

C7H10N2O2

평균 분자량

154.17 g/mol

단동위원소 질량

154.07422757 g/mol

SMILES

CCc1cc(C(=O)O)n(C)n1

InChIKey

AYPCLZDGADHRDL-UHFFFAOYSA-N

PubChem CID

820565

EC No.

821-599-2

DTXSID

DTXSID001381536

현지명

3-에틸-1-메틸-1H-피라졸-5-카르복실산

XLogP

0.9

극성 표면적

55.1

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

161

끓는 점

320.8±30.0 °C(Predicted)

밀도

1.23±0.1 g/cm3(Predicted)

저장 조건

2-8°C

pKa(산도 계수)

3.11±0.25(Predicted)

안전 및 규제

GHS 분류

WarningH302 (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 exposureRespiratory 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.

Hazard Classes and Categories

Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)

위험 표시

위험 등급

IRRITANT