1,2,3,4-Benzenetetrol

1,2,3,4-benzenetetrol · benzene-1,2,3,4-tetrol · Rabeprazole Impurity 56 · Phloroglucinol Impurity 65

https://huagongshe.com/ko/chemical/588355

식별자 및 물리적 특성

CAS No.	642-96-6
분자식	C6H6O4
평균 분자량	142.11 g/mol
단동위원소 질량	142.02660867 g/mol
SMILES	Oc1ccc(O)c(O)c1O
InChIKey	VERMEZLHWFHDLK-UHFFFAOYSA-N
PubChem CID	588355
ChEBI	CHEBI:193965
EC No.	980-791-5
DTXSID	DTXSID40343226

화학 및 물리적 성질

XLogP	0.5
극성 표면적	80.9
수소 결합 공여자 수	4
수소 결합 수용자 수	4
회전 가능 결합 수	0
무거운 원자 수	10
형식 전하	0
복잡도	102
녹는점	159-161 °C
끓는 점	421.5±40.0 °C(Predicted)
밀도	1.709±0.06 g/cm3(Predicted)
pKa(산도 계수)	9.12±0.15(Predicted)

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, 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%)

GHS 분류

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, 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%)