2-브로모-3-피리딘카르복실산메틸에스테르

2-브로모-3-피리딘카르복실산메틸에스테르 · METHYL 2-BROMOPYRIDINE-3-CARBOXYLATE · methyl 2-bromonicotinate · Methyl2-Bromonicotinate>Methyl 2-bromopyridin-3-carboxylate · Methyl 2-broMo-3-pyridinecarboxylate · Methyl 2-bromopyridine-3-carboxylate, 96% · 2-Bromopyridine-3-carboxylic Acid Methyl Ester · 2-BROMO-3-PYRIDINECARBOXYLIC ACID METHYL ESTER

https://huagongshe.com/ko/chemical/12349191

식별자 및 물리적 특성

CAS No.	52718-95-3
분자식	C7H6BrNO2
평균 분자량	216.03 g/mol
단동위원소 질량	214.95819053 g/mol
SMILES	COC(=O)c1cccnc1Br
InChIKey	RAFFKXWNTXTTFO-UHFFFAOYSA-N
PubChem CID	12349191
EC No.	801-154-9
DTXSID	DTXSID70493142
현지명	2-브로모-3-피리딘카르복실산메틸에스테르

화학 및 물리적 성질

XLogP	1.7
극성 표면적	39.2
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	2
무거운 원자 수	11
형식 전하	0
복잡도	151
녹는점	32-37°C
끓는 점	95-97 °C(Press: 1.4 Torr)
밀도	1.579±0.06 g/cm3(Predicted)
저장 조건	Inert atmosphere,Room Temperature
물리적 상태	powder to lump to clear liquid
pKa(산도 계수)	-1.25±0.10(Predicted)
색상	White or Colorles to Yellow to Orange
InChI	1S/C7H6BrNO2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3
InChIKey	RAFFKXWNTXTTFO-UHFFFAOYSA-N
SMILES	COC(=O)c1cccnc1Br

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
관세 코드	2933399990
저장 분류	13 - Non Combustible Solids