사염화-1,4-벤조퀴논

사염화-1,4-벤조퀴논 · 클로르아닐 · 클로라닐 · P-CHLORANIL · TETRACHLORO-P-BENZOQUINONE · 2,3,5,6-Tetrachlorocyclohexa-2,5-diene-1,4-dione · TETRACHLORO-1,4-BENZOQUINONE · 4-CHLORANIL

https://huagongshe.com/ko/chemical/8371

식별자 및 물리적 특성

CAS No.	118-75-2
분자식	C6Cl4O2
평균 분자량	245.9 g/mol
단동위원소 질량	243.86523996 g/mol
SMILES	O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl
InChIKey	UGNWTBMOAKPKBL-UHFFFAOYSA-N
PubChem CID	8371
ChEMBL	CHEMBL192627
ChEBI	CHEBI:36703
EC No.	204-274-4
DTXSID	DTXSID2020266
현지명	사염화-1,4-벤조퀴논

화학 및 물리적 성질

XLogP	3.4
극성 표면적	34.1
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	12
형식 전하	0
복잡도	277
물질 분류	Other Classes -> Aromatic Ketones, Halogenated
SpringerMaterials Properties	Schoenflies notation
LogP(분배 계수)	3-4.92.19
밀도	1.97 (NTP, 1992) - Denser than waterwill sinkRelative density (water = 1): 2.01,97 g/cm3
Color/Form	GOLDEN-YELLOW PLATELETS FROM ACETIC ACID OR ACETONEMONOCLINIC PRISMS FROM BENZENE OR TOLUENE OR BY SUBLIMATION IN VACUOYELLOW LEAFLETS OR PRISMS
용해도	less than 1 mg/mL at 70 °F (NTP, 1992)ALMOST INSOL IN COLD PETROLEUM ETHER, COLD ALCOHOLSPARINGLY SOL IN CHLOROFORM, CARBON DISULFIDE, CARBON TETRACHLORIDESOLUBLE IN ETHER. INSOLUBLE IN WATER.g/100 g: in acetone 33, ether 16, dimethylformamide 5.4, solvent naphtha 5.4, benzene 1.3, methanol about 0.1, carbon tetrachloride about 0.1, dibutyl phthalate about 0.1ALMOST INSOL IN WATER (1:4000)In water, 250 mg/l at room temperatureSolubility in water: none0.25g/l 거의 불용성
Corrosivity	Non-corrosive
끓는 점	Sublimes (NTP, 1992)SUBLIMES AT BOILING POINT290.07°C (rough estimate)
Decomposition	WHEN HEATED TO DECOMP, IT EMITS HIGHLY TOXIC FUMES OF /HYDROGEN CHLORIDE/.
녹는점	552 °F (decomposes) (NTP, 1992)292 °C (SEALED TUBE)290 °C295-296 °C (dec.)
증기 밀도	Relative vapor density (air = 1): 8.5
증기압	0 mmHg at 68 °F approximately (NTP, 1992)0.0000051 [mmHg]5.1X10-6 MM HG @ 25 °CVapor pressure, Pa at 25 °C:1 hPa (71 °C)
인화점	>100℃
저장 조건	Store below +30°C.
물리적 상태	액체
색상	투명한
비중	1.97
pH	3.5-4.5 (100g/l, H2O, 20℃)(slurry)
용해도	불용성
Merck	14,2078
BRN	393006
헨리 상수	1.5×103 mol/(m3Pa) at 25℃, HSDB (2015)
주요 응용	농업환경
InChI	1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
InChIKey	UGNWTBMOAKPKBL-UHFFFAOYSA-N
SMILES	ClC1=C(Cl)C(=O)C(Cl)=C(Cl)C1=O
LogP(분배 계수)	2.3 at 20℃
NIST	p-Benzoquinone, 2,3,5,6-tetrachloro-(118-75-2)
EPA	Chloranil (118-75-2)

화학적 성질

YELLOW-GREEN POWDER

안전 및 규제

GHS 분류	WarningH315: Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
규제 정보	Chemical: 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrachloro-2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrachloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrachloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)T - indicates a substance that is the subject of a final TSCA section 4 test rule.Status: Active Update: 05-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2069Chloranil: Does not have an individual approval but may be used under an appropriate group standard
화재 위험	Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992)Not combustible. Liquid formulations containing organic solvents may be flammable. Gives off irritating or toxic fumes (or gases) in a fire.
건강 유해성	SYMPTOMS: Symptoms of exposure to this compound include irritation of the skin, respiratory system and digestive system. Other symptoms include watery diarrhea, central nervous system depression, liver damage, coma and death.
유해성 요약	A skin, eye, and respiratory tract irritantMay cause CNS effects with heavy exposures resulting in unconsciousness[ICSC] A skin, mucous membrane, and respiratory tract irritantMay cause CNS depression and liver damage[CAMEO] Symptoms of poisoning include watery diarrhea, CNS depression, coma, and deathHas caused corneal necrosis in rabbit eyesEmergency medical treatment: see Dichlone-chloranil[HSDB] Effects in high-dose animal studies include liver tumors, increase in cellular immune response, fatty liver degeneration, and changes in clotting factors and leukocyte count

용도

p-Chloranil is used as a dye intermediate, oxidizing agent, vulcanizing agent and dehydrogenation reagent. It is also used to make chloranil electrodes for pH measurements. Further, it serves as a hydrogen acceptor and used for the aromatization reactions such as conversion of cyclohexadienes to the benzene derivatives. It is used to test the secondary amine. In addition to this, it is employed as a precursor to prepare diaziquone, which is used as a cancer chemotherapeutic agent.

일반 설명

Yellow powder with a slight odor.