1-메틸-피롤-2-아세트산

1-메틸-피롤-2-아세트산 · 2-(1-Methyl-1H-pyrrol-2-yl)acetic acid · Einecs 244-645-8 · 1-Methyl-pyrrole-2-acetic acid · 1-methyl-1H-pyrrole-2-acetic acid · 2-(1-Methyl-2-pyrrolyl)acetic Acid · 1H-Pyrrole-2-acetic acid, 1-methyl- · 1-Methylpyrrole-2-acetic acid, >=98%

https://huagongshe.com/ko/chemical/89095

식별자 및 물리적 특성

CAS No.	21898-59-9
분자식	C7H9NO2
평균 분자량	139.15 g/mol
단동위원소 질량	139.06332853 g/mol
SMILES	Cn1cccc1CC(=O)O
InChIKey	SYYOUHJJSOLSJD-UHFFFAOYSA-N
PubChem CID	89095
EC No.	244-645-8
DTXSID	DTXSID70176302
현지명	1-메틸-피롤-2-아세트산

화학 및 물리적 성질

XLogP	0.2
극성 표면적	42.2
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	10
형식 전하	0
복잡도	136
녹는점	113 °C
끓는 점	282.9±15.0 °C(Predicted)
밀도	1.14±0.1 g/cm3(Predicted)
저장 조건	2-8°C
pKa(산도 계수)	4.48±0.10(Predicted)
InChI	InChI=1S/C7H9NO2/c1-8-4-2-3-6(8)5-7(9)10/h2-4H,5H2,1H3,(H,9,10)
InChIKey	SYYOUHJJSOLSJD-UHFFFAOYSA-N
SMILES	N1(C)C=CC=C1CC(O)=O

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
관세 코드	2933998090