2,5-Dichlorobenzoic acid

Benzoic acid, 2,5-dichloro- · 2,5-DBA · 2,5-Dichlorobe · RARECHEM AL BO 0355 · 2,5-Dichlorobenzoic a · Irsogladine Impurity 2 · Irsogladine Impurity S · 5-Dichlorobenzoic acid

https://huagongshe.com/ko/chemical/5784

식별자 및 물리적 특성

CAS No.	35915-19-6
분자식	C7H4Cl2O2
평균 분자량	191.01 g/mol
단동위원소 질량	189.95883473 g/mol
SMILES	O=C(O)c1cc(Cl)ccc1Cl
InChIKey	QVTQYSFCFOGITD-UHFFFAOYSA-N
PubChem CID	5784
ChEMBL	CHEMBL326312
ChEBI	CHEBI:132298
EC No.	200-065-7
DTXSID	DTXSID5024978

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
물질 분류	Other Classes -> Benzoic Acid Derivatives
용해도	less than 1 mg/mL at 66 °F (NTP, 1992)0.8g/L
끓는 점	574 °F at 760 mmHg (NTP, 1992)301 °C (lit.)
녹는점	304 to 309 °F (NTP, 1992)151-154 °C (lit.)
증기압	0.000447 [mmHg]
Physical Description	2,5-dichlorobenzoic acid appears as needles (from water) or white powder. (NTP, 1992)Solid[CAMEO] White to beige powder[Acros Organics MSDS]
밀도	1.4410 (rough estimate)
굴절률	1.4590 (estimate)
인화점	300-302°C
저장 조건	Store below +30°C.
물리적 상태	가루
pKa(산도 계수)	2.51±0.25(Predicted)
색상	흰색에서 베이지색
용해도	19ºC에서 <0.1g/100mL
BRN	973353
안정성	안정적인.
InChI	1S/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey	QVTQYSFCFOGITD-UHFFFAOYSA-N
SMILES	OC(=O)c1cc(Cl)ccc1Cl
NIST	Benzoic acid, 2,5-dichloro-(50-79-3)
EPA	Benzoic acid, 2,5-dichloro- (50-79-3)

화학적 성질

Needle crystals or white crystalline powder. Soluble in ethanol and ether, soluble in hot water. Some volatilize in the vapor.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 5.4% (3 of 56) of reports.WarningH315 (92.9%): 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 56 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	2,5-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 include irritation.
유해성 요약	Causes rigidity (including catalepsy) and muscle contraction or spasticity in intraperitoneal lethal-dose studies of mice (LD50 = 237 mg/kg)[RTECS] An irritant[Acros Organics MSDS]
반응성 그룹	Acids, Carboxylic
Reactivity Profile	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

2,5-Dichlorobenzoic acid was used as calibration standard to investigate the gas-phase OH reaction products of biphenyl, monochlorobiphenyl and dichlorophenyl

일반 설명

Needles (from water) or white powder.

제조 및 합성 방법

제조 방법

2,5-Dichlorobenzoic acid is obtained by reacting p-dichlorobenzene with phosgene to obtain 2,5-dichlorobenzoyl chloride, which is then hydrolyzed.