2,3-Dinitrophenol (HCID 6191)

이름 및 식별자

우선 이름: 2,3-Dinitrophenol
IUPAC: 2,3-dinitrophenol
현지명: 2,3-디니트로 페놀
영어명: 2,3-DINITROPHENOL
분자식: C6H4N2O5
분자량: 184.11

이름 및 동의어

2,3-DINITROPHENOL66-56-8Phenol, 2,3-dinitro-2,3-DNPDTXSID2075261NSC-156083735M30625HCHEBI:39354RefChem:81872DTXCID7044685200-628-725550-58-7

이름 더 보기

디니트로페놀2,3-디니트로페놀2,3-dinitro-phenoDinitrophenol, 2,3-2,3-dinitrophenolmoistenedwithwater(h2o~20%)2,3-Dinitrophenol moistened with water, >=98.0% (HPLC)

2,3-Dinitrofenol [Czech]2,3-DinitrofenolCCRIS 3101EINECS 200-628-7NSC 156083BRN 2213580Phenol,3-dinitro-NSC156083

데이터베이스 식별자

CAS: 66-56-8
PubChem CID: 6191
DTXSID: DTXSID2075261
ChEMBL: CHEMBL3347393
ChEBI: CHEBI:39354
UNII: 735M30625H
EC Number: 200-628-7
Nikkaji: J53.754C

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 112 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 220

실험 및 물리화학적 성질

Density1.681 @ 20°C

Melting Point144.5 °C

Vapor Pressure0.000012 [mmHg]

Physical DescriptionYellow needles or crystals

물리화학적 성질

녹는점: 141 · 141-145 °C
끓는 점: 329 ℃ · 329℃
밀도: 1.65 · 1.650
굴절률: 1.4738 · 1.4738 (estimate)
인화점: 151 ℃ · 151℃
용해도: 용해도 물에 거의 용해되지 않음; 에탄올, 에테르에 용해됨
산도 계수 (pKa): 4.86 · 4.86, 4.96(at 25℃)
색상: 노란 바늘 결정
BRN: 2213580 · 2213580
주요 응용: 바이오센서 설계, 약물 전달
InChI: 1S/C6H4N2O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H
InChIKey: MHKBMNACOMRIAW-UHFFFAOYSA-N
SMILES: Oc1cccc(c1[N+]([O-])=O)[N+]([O-])=O
EPA: 2 · Phenol, 2,3-dinitro- (66-56-8)

화학적 성질

Yellow monoclinic prisms, flammable. Soluble in ether, benzene, and ethanol; slightly soluble in water.

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]；H311: Toxic in contact with skin [Danger Acute toxicity, dermal]；H331: Toxic if inhaled [Danger Acute toxicity, inhalation]；H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

유해성 정보

Hazards SummaryMay cause irritation, disruption of oxidative phosphorylation, liver injury, and dermatitis; Highly toxic by inhalation; Toxic by ingestion and skin absorption; [Aldrich MSDS] See Dinitrophenol.

Hazard Classes and Categories · 3건

Acute Tox. 3 (100%)；Acute Tox. 3 (100%)；Acute Tox. 3 (100%)；STOT RE 2 (100%)；Aquatic Chronic 2 (100%)

Acute toxicity - category 3；Acute toxicity - category 3；Acute toxicity - category 3；Specific target organ toxicity (repeated exposure) - category 2；Hazardous to the aquatic environment (chronic) - category 2

Acute Tox. 3 *；Acute Tox. 3 *；Acute Tox. 3 *；STOT RE 2 *；Aquatic Chronic 2

안전 및 보호

Protective Action Criteria (PAC) · 3건

1.5 [mg/m3]

13 [mg/m3]

75 [mg/m3]

독성 정보

Adverse Effects · 1건

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.；Methemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect；Other Poison - Uncoupler

안전 데이터

wgk: 3
rtecs: SL2700000
ridadr: UN 1320 4.1/PG 1
risk_code: 23/24/25-33-51/53
hazard_code: T,N
safety_code: 28-37-45-61
포장분류: I
위험 등급: 4.1
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 2Expl. 1.1STOT RE 2
스토리지 클래스: 4.1B - Flammable solid hazardous materials

화학 및 산업

용도 및 제조

UsesA minor constituent of commercial dinitrophenol mixtures, which are used to make dyes, wood preservatives, photographic developers, explosives, insecticides, and other chemicals; [ATSDR ToxProfiles]

응용 분야

용도2,3-Dinitrophenol may be employed as nitrogen supplement for the bacterial culture medium.

일반 설명2,3-Dinitrophenol is a nitroaromatic compound. It has been reported to exhibit high acute toxicity to Scenedesmus obliquus, with EC50 value of 2.5±0.8.