2-하이드록시테레프탈산

2-하이드록시테레프탈산 · Hydroxyterephthalic acid · DK7270 · H2BDC-OH · 2-HydroxyterephthaL · 2-hydroxyterephthalic acid · Terephthalic acid, hydroxy- · 2-HydroxyterephthalicAcid>2-Hydroxyterephthalic acid 97%

https://huagongshe.com/ko/chemical/97257

식별자 및 물리적 특성

CAS No.	636-94-2
분자식	C8H6O5
평균 분자량	182.13 g/mol
단동위원소 질량	182.02152329 g/mol
SMILES	O=C(O)c1ccc(C(=O)O)c(O)c1
InChIKey	CDOWNLMZVKJRSC-UHFFFAOYSA-N
PubChem CID	97257
EC No.	692-426-4
DTXSID	DTXSID40212983
현지명	2-하이드록시테레프탈산

화학 및 물리적 성질

XLogP	1.5
극성 표면적	94.8
수소 결합 공여자 수	3
수소 결합 수용자 수	5
회전 가능 결합 수	2
무거운 원자 수	13
형식 전하	0
복잡도	225
녹는점	312-317 °C
끓는 점	436.9±40.0 °C(Predicted)
밀도	1.612±0.06 g/cm3(Predicted)
저장 조건	Inert atmosphere,Room Temperature
물리적 상태	powder to crystal
pKa(산도 계수)	2.56±0.10(Predicted)
색상	흰색에서 노란색, 주황색으로
InChI	InChI=1S/C8H6O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChIKey	CDOWNLMZVKJRSC-UHFFFAOYSA-N
SMILES	C1(C(O)=O)=CC=C(C(O)=O)C=C1O

안전 및 규제

GHS 분류	WarningH302 (97.7%): 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 (97.7%): 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 43 reports by companies from 6 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 (97.7%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.7%)
수질 위해 등급(WGK)	3
관세 코드	29182900
위험 문구(R)	22-36/37/38
위험 표시	Xn
안전 문구(S)	26
위험 등급	Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

2-Hydroxyterephthalic acid is a useful reagent and reactant in the field of nanotechnology, and material science. Della Pia, A., et al.: Faraday Discuss., 204, 191-213 (2017);

일반 설명

This product has been enhanced for energy efficiency.