3,5-Dinitroanilin

3,5-Dinitroaniline

HCID 12068CAS 26471-56-7
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Grundinformationen

Standard-SMILES
Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIKey
MPBZUKLDHPOCLS-UHFFFAOYSA-N
Summenformel
C6H5N3O4
Durchschnittliche Molmasse
183,12 g/mol
Monoisotopische Masse
183,02800564

Überblick

Dinitroaniline appears as a yellow colored needle-like solid. Insoluble in water and denser than water. Toxic by ingestion and inhalation. May irritate skin and eyes. Used to make dyes and ink.

Namen und Bezeichner

Bevorzugter Name
3,5-Dinitroaniline
IUPAC
3,5-dinitroaniline
Lokaler Name
3,5-Dinitroanilin
Englischer Name
3,5-Dinitroaniline
Summenformel
C6H5N3O4
Molmasse
183.12

Namen und Synonyme

3,5-DINITROANILINE618-87-1Aniline, 3,5-dinitro-Benzenamine, 3,5-dinitro-CCRIS 3109NSC 284EINECS 210-567-8BRN 06488110AHR6K1N73NSC-2841-amino-3,5-dinitrobenzeneDTXSID0044151
Weitere Namen anzeigen
3,5-dinitro-anilinTIMTEC-BB SBB0037283,5-Dinitroaniline>Aniline, 3,5-dinitro-3,5-dinitro-benzenaminLABOTEST-BB LTBB0006293,5-DINITROANILINE 98+%3,5-Dinitroaminobenzene
(3,5-DINITROPHENYL)AMINEAniline, dinitro-RefChem:487069DTXCID8024151Benzenamine, 3,5-dinitro-(9CI)BENZENAMINE, AR, AR-DINITRO-210-567-8DINITROANILINE

Datenbank-Bezeichner

CAS
26471-56-7、618-87-1
PubChem CID
12068
DTXSID
DTXSID0044151
UNII
0AHR6K1N73
EC Number
210-567-8
Nikkaji
J60.423B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,9
Polarare Oberfläche (TPSA)
118 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
0
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

Chemical ClassesReactive agents - 3rd degree
SpringerMaterials PropertiesDensity
LogP1.89
Physical DescriptionDinitroaniline appears as a yellow colored needle-like solid. Insoluble in water and denser than water. Toxic by ingestion and inhalation. May irritate skin and eyes. Used to make dyes and ink.

Physikochemische Eigenschaften

Schmelzpunkt
160 · 160-162 °C(lit.)
Siedepunkt
316.77 °C · 316.77°C (rough estimate)
Dichte
1.601 · 1.6010
Brechungsindex
1.691 · 1.6910 (estimate)
storage temp.
room temp
Wasserlöslichkeit
Practically insoluble in water

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301+H311+H331 (71.2%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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)

Aggregated GHS information provided per 146 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationThe 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.)
DOT LabelPoison
Fire Hazards · 2 Einträge

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

· Combustible material: may burn but does not ignite readily.

Health Hazards · 2 Einträge

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.

DOT ID and Guide1596 153
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 Einträge

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Immediate precautionary measure

Toxikologische Informationen

RAIS Toxicity Values · 6 Einträge

0.002

SCREEN Current

0.006

SCREEN Current

0.0004

SCREEN Current

EPA Provisional Peer-Reviewed Toxicity Values · 6 Einträge

3,5-Dinitroaniline

4 x 10^-4 mg/kg-day

7 x 10^-4 mg/kg-day

2 x 10^-3 mg/m^3

6 x 10^-3 mg/m^3

PDF Document

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6 Einträge

2.50e+01

3.30e+02

2.10e+00

8.80e+00

7.70e+00

5.00e+00

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6 Einträge

7.60e+01

9.80e+02

6.30e+00

2.60e+01

2.30e+01

5.00e+00

Sicherheitsdaten

F
8
wgk
2
ridadr
UN 1596
hs_code
29214200
RTECS-Nr.
BX9200100
risk_code
23/24/25-33

Chemie und Industrie

Anwendungen

Verwenden3,5-Dinitroaniline is an dye/stain. Dyes and metabolites.

Vor- und nachgelagerte Produkte

Anbieter10 Anbieter

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]

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