4,4'-Dinitrobiphenyl

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

HCID 15216

Grundinformationen

CAS
1528-74-1
Standard-SMILES
O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIKey
BDLNCFCZHNKBGI-UHFFFAOYSA-N
Summenformel
C12H8N2O4
Durchschnittliche Molmasse
244,2 g/mol
Monoisotopische Masse
244,04840674

Überblick

structure

Namen und Bezeichner

Bevorzugter Name
4,4'-Dinitro-1,1'-biphenyl
IUPAC
1-nitro-4-(4-nitrophenyl)benzene
Lokaler Name
4,4'-Dinitrobiphenyl
Englischer Name
4,4'-DINITROBIPHENYL
Summenformel
C12H8N2O4
Molmasse
244.2

Namen und Synonyme

4,4'-DINITROBIPHENYL1528-74-14,4'-Dinitro-1,1'-biphenyl1,1'-Biphenyl, 4,4'-dinitro-4,4'-DinitrodiphenylBiphenyl, 4,4'-dinitro-4,4'-Dinitrobifenyl6X8N704C9UNSC-8738DTXSID4061757RefChem:96276DTXCID9034945
Weitere Namen anzeigen
4,4’-dinitrobifenyl4,4-DINITROBIPHENYL4,4’-dinitrodiphenyl4,4’-dinitro-biphenySALOR-INT L253294-1EA4,4'-Dinitrobiphenyl 1G
216-210-21-nitro-4-(4-nitrophenyl)benzeneMFCD000397444,4'-Dinitrobifenyl [Czech]CCRIS 3375HSDB 55264,4/'-DinitrobiphenylNSC 8738

Datenbank-Bezeichner

CAS
1528-74-1
PubChem CID
15216
DTXSID
DTXSID4061757
ChEMBL
CHEMBL73297
UNII
6X8N704C9U
EC Number
216-210-2
Nikkaji
J7.752F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,6
Polarare Oberfläche (TPSA)
91,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
1
Schwere Atome
18

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesBoiling point
LogP3.2
Color/FormNEEDLES FROM ALCOHOL
SolubilityINSOL IN WATER; SOL IN HOT ALCOHOL, BENZENE & ACETIC ACID
Melting Point240-243 °C

Physikochemische Eigenschaften

Schmelzpunkt
242 °C · 242°C
Siedepunkt
387.12 °C · 387.12°C (rough estimate)
Dichte
1.3468 · 1.3468 (rough estimate)
Brechungsindex
1.636 · 1.6360 (estimate)
storage temp.
Sealed in dry,Room Temperature
Aggregatzustand
powder to crystal

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (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.

Gefahrenhinweise

Hazards SummaryEmergency treatment: Methemoglobinemia; [HSDB] Mild eye irritant in rabbits; [RTECS]
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Toxikologische Informationen

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Sicherheitsdaten

tsca
TSCA listed
hs_code
2904.20.4500
RTECS-Nr.
DV4000000
risk_code
20/21/22
safety_code
22-36/37/39
Giftige Stoffe Daten
1528-74-1(Hazardous Substances Data)

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites · 1 Eintrag

FOLLOWING THE ORAL OR IP ADMIN OF 4,4'-DINITROBIPHENYL TO GUINEA PIGS, 4,4'-DIACETYLBENZIDINE (4,4'-DIACETYLAMINOBIPHENYL) WAS EXCRETED IN THE URINE. THE METABOLISM OF 4,4'-DINITROBIPHENYL IN THE RAT WAS CONSIDERABLY SLOWER THAN IN THE GUINEA PIG. 3-CHLORO-4-AMINO-4'-NITROBIPHENYL & 3-CHLORO-4-ACETAMIDO-4'-NITROBIPHENYL WERE FOUND IN THE URINE OF RATS BUT NOT OF GUINEA PIGS. APPARENTLY, IN THE RAT HALOGENATION OCCURS IN A METABOLIC PATHWAY FOR THE METABOLITES OF 4,4'-DINITROBIPHENYL, 4-AMINO-4'-NITROBIPHENYL & 4-ACETAMIDO-4'-NITROBIPHENYL.

Verwendung und Herstellung

General Manufacturing Information1,1'-Biphenyl, 4,4'-dinitro-: INACTIVE

Anwendungen

Verwendensteroid hormone precursor

Anbieter41 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

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