2,4-디클로로 안식향산

2,4-디클로로안식향산 · 2,4-DCBA · 2,4-Dichlorobenzoic · 2,4-Dichlolrobenzoic Acid · Benzoic acid, 2,4-dichloro- · 2,4-Dichlorobenzoicacid,98% · 'LGC' (1305) · 2.4-Dichlorobe

https://huagongshe.com/ko/chemical/5787

식별자 및 물리적 특성

CAS No.	50-84-0
분자식	C7H4Cl2O2
평균 분자량	191.01 g/mol
단동위원소 질량	189.95883473 g/mol
SMILES	O=C(O)c1ccc(Cl)cc1Cl
InChIKey	ATCRIUVQKHMXSH-UHFFFAOYSA-N
PubChem CID	5787
ChEMBL	CHEMBL1492029
ChEBI	CHEBI:30748
EC No.	200-067-8
DTXSID	DTXSID0024977
현지명	2,4-디클로로 안식향산

화학 및 물리적 성질

XLogP	2.8
극성 표면적	37.3
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	11
형식 전하	0
복잡도	161
SpringerMaterials Properties	Nuclear quadrupole resonance spectroscopy
농약	Environmental transformation -> Pesticide transformation products (metabolite, successor)
LogP(분배 계수)	2.76
용해도	less than 1 mg/mL at 66 °F (NTP, 1992)에탄올: 용해성1g/10mL, 투명, 무색
끓는 점	Sublimes (NTP, 1992)200 °C
녹는점	315 to 320 °F (NTP, 1992)157-160 °C (lit.)
Physical Description	2,4-dichlorobenzoic acid is a white to slightly yellowish powder. (NTP, 1992)
밀도	1.4410 (rough estimate)
굴절률	1.4590 (estimate)
인화점	80°
저장 조건	Sealed in dry,Room Temperature
pKa(산도 계수)	2.68±0.25(Predicted)
물리적 상태	가루
색상	흰색에서 거의 흰색
pH	2.8 (0.36g/l, H2O, 15℃)
용해도	0.36g/L(15℃)
BRN	1868192
안정성	안정적인. 강한 산화제와 호환되지 않습니다.
InChI	1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKey	ATCRIUVQKHMXSH-UHFFFAOYSA-N
SMILES	OC(=O)c1ccc(Cl)cc1Cl
NIST	2,4-Dichlorobenzoic acid(50-84-0)
EPA	Benzoic acid, 2,4-dichloro- (50-84-0)

화학적 성질

white powder

안전 및 규제

GHS 분류	WarningH302 (96.6%): 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 117 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Benzoic acid, 2,4-dichloro-2,4-Dichlorobenzoic acid: 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)
건강 유해성	SYMPTOMS: Symptoms of exposure to this compound may include irritation.
반응성 그룹	Acids, Carboxylic
Reactivity Profile	2,4-DICHLOROBENZOIC ACID is a halogenated carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in waterthose with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in it to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions

용도

2,4-Dichlorobenzoic Acid is a di-halogenated benzoic acid derivative and an intermediate in the synthesis of spirodiclofen (S682990), a tetronic acid acaricide fungicide used in controlling red mites.

일반 설명

White to slightly yellowish powder.