기본 정보
- CAS
35860-51-6- 표준 SMILES
O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1O- InChIKey
LQCKFXAPVKCRRU-UHFFFAOYSA-N- 분자식
- C6H4N2O6
- 평균 분자량
- 200.11 g/mol
- 단동위원소 질량
- 200.00693585
이름 및 식별자
- 우선 이름
- 2,4-Dinitroresorcinol
- IUPAC
- 2,4-dinitrobenzene-1,3-diol
- 현지명
- 2-디니트로-4-벤젠디올
- 영어명
- 2，4-Dinitro-1，3-benzene diol
- 분자식
- C6H4N2O6
- 분자량
- 200.11
이름 및 동의어
2,4-DINITRORESORCINOL519-44-81,3-Benzenediol, 2,4-dinitro-EG63RYX560NSC-243680Resorcinol, 2,4-dinitro-3-HYDROXY-2,4-DINITROPHENOLRefChem:1059795208-270-32,4-dinitrobenzene-1,3-diol2,4-Dinitro-1,3-benzenediol1,3-Benzenediol, dinitro-
이름 더 보기
2-디니트로-4-벤젠디올2，4-Dinitroresorcinol2，4-Dinitro-1，3-benzene diol
dinitroresorcinol35860-51-6UNII-EG63RYX560EINECS 208-270-3UN0078UN1322NSC 243680Resorcinol,4-dinitro-
데이터베이스 식별자
- CAS
35860-51-6、519-44-8- PubChem CID
- 10613
- DTXSID
DTXSID80862103- UNII
- EG63RYX560
- EC Number
- 208-270-3
- Nikkaji
- J6.594C
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 132 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 246
실험 및 물리화학적 성질
Chemical Classes
Nitrogen Compounds -> Nitros, Aromatic
Flammable agents - 3rd degree
SpringerMaterials PropertiesDiamagnetic susceptibility
LogP2.1
Vapor Pressure0.00000019 [mmHg]
Physical DescriptionYellow solid; [Merck Index] White to light-colored solid; [CAMEO]
물리화학적 성질
- 녹는점
- 147.5 °C · 147.5°C
- 끓는 점
- 337.8 °C · 337.8°C (rough estimate)
- 밀도
- 1.7942 · 1.7942 (rough estimate)
- 굴절률
- 1.4738 · 1.4738 (estimate)
- 산도 계수 (pKa)
- 4.25 · 4.25±0.24(Predicted)
- 수용성
- 6.261 g/L · 6.261g/L(57.70ºC)
- EPA
- 1 · 1,3-Benzenediol, 2,4-dinitro- (519-44-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H201 (100%): (Deleted) Explosive; mass explosion hazard [Danger Explosives]
P210, P230, P240, P250, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P380, P372, P373, P401, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Danger
H201: (Deleted) Explosive; mass explosion hazard [Danger Explosives]
유해성 정보
Regulatory Information
Chemical: 1,3-Benzenediol, dinitro-
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards· Flammable/combustible material.
Health Hazards
· Some are toxic and may be fatal if inhaled, ingested or absorbed through skin. Specifically, Dinitrophenol, wetted (UN1320); Dinitrophenolates, wetted (UN1321), Sodium dinitro-o-cresolate, wetted (UN1348); and Barium azide, wetted (UN1571) are known to be toxic.
Hazards SummaryExplodes on intense heating; [Merck Index] A strong oxidizing agent; Can explode from heat or shock when dry; May cause irritation; [CAMEO] See Styphnic acid.
DOT ID and Guide1322 113
DOT Hazard Classification
Dinitroresorcinol, dry or wetted with less than 15 percent water, by mass
UN0078
Div 1.1 Explosives (with a mass explosion hazard) (49 eCFR § 173.50)
2,4-Dinitroresorcinol (heavy metal salts of) (dry)
Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)
화학 및 산업
용도 및 제조
Uses
Used for dyeing fabrics and as a reagent for cobalt and iron; [Merck Index] Used to make other chemicals; [CAMEO]
Textiles (Printing, Dyeing, or Finishing) [Category: Industry]
상·하류 제품 정보
상류 원료
관련 반응
2건
화합물 노트
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