4,4'-Dinitro-1,1'-biphenyl

4,4’-dinitrobifenyl · 4,4-DINITROBIPHENYL · 4,4'-Dinitrobifenyl · 4,4’-dinitrodiphenyl · 4,4’-dinitro-bipheny · 4,4'-DINITROBIPHENYL · 4,4'-Dinitrodiphenyl · SALOR-INT L253294-1EA

https://huagongshe.com/ko/chemical/15216

식별자 및 물리적 특성

CAS No.	1528-74-1
분자식	C12H8N2O4
평균 분자량	244.2 g/mol
단동위원소 질량	244.04840674 g/mol
SMILES	O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIKey	BDLNCFCZHNKBGI-UHFFFAOYSA-N
PubChem CID	15216
ChEMBL	CHEMBL73297
EC No.	216-210-2
DTXSID	DTXSID4061757

화학 및 물리적 성질

XLogP	3.6
극성 표면적	91.6
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	1
무거운 원자 수	18
형식 전하	0
복잡도	275
물질 분류	Nitrogen Compounds -> Nitros, Aromatic
SpringerMaterials Properties	Boiling point
LogP(분배 계수)	3.2
Color/Form	NEEDLES FROM ALCOHOL
용해도	INSOL IN WATERSOL IN HOT ALCOHOL, BENZENE & ACETIC ACID
녹는점	240-243 °C242°C
Physical Description	Solid[HSDB]
Other Experimental Properties	UV: 2-287 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Biphenyl, 2,4'-dinitro/UV: 2-287 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Biphenyl, 3,3'-dinitro/UV: 2-287 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Biphenyl, 3,4'dinitro/
끓는 점	387.12°C (rough estimate)
밀도	1.3468 (rough estimate)
굴절률	1.6360 (estimate)
저장 조건	Sealed in dry,Room Temperature
물리적 상태	powder to crystal
색상	White to Orange to Green
EPA	1,1'-Biphenyl, 4,4'-dinitro- (1528-74-1)

안전 및 규제

GHS 분류	DangerH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 요약	Emergency treatment: Methemoglobinemia[HSDB] Mild eye irritant in rabbits[RTECS]
Hazard Classes and Categories	Acute Tox. 4 (66.7%)
유해 작용	Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect
TSCA 등재 상태	TSCA listed
RTECS 번호	DV4000000
관세 코드	2904.20.4500
위험 문구(R)	20/21/22
안전 문구(S)	22-36/37/39
유해 물질 데이터	1528-74-1(Hazardous Substances Data)

용도

steroid hormone precursor