2-Amino-5-nitrobenzonitril

2-Amino-5-nitrobenzonitrile

HCID 28532CAS 17420-30-3
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Grundinformationen

Standard-SMILES
N#Cc1cc([N+](=O)[O-])ccc1N
InChIKey
MGCGMYPNXAFGFA-UHFFFAOYSA-N
Summenformel
C7H5N3O2
Durchschnittliche Molmasse
163,13 g/mol
Monoisotopische Masse
163,0381764

Namen und Bezeichner

Bevorzugter Name
2-Amino-5-nitrobenzonitrile
IUPAC
2-amino-5-nitrobenzonitrile
Lokaler Name
2-Amino-5-nitrobenzonitril
Englischer Name
5-Nitroanthranilonitrile
Summenformel
C7H5N3O2
Molmasse
163.13

Namen und Synonyme

2-Amino-5-nitrobenzonitrile17420-30-35-Nitroanthranilonitrile2-Cyano-4-nitroanilineBenzonitrile, 2-amino-5-nitro-Anthranilonitrile, 5-nitro-2-Kyan-4-nitroanilin2-Kyan-4-nitroanilin [Czech]SEZ79WRA1JCCRIS 9092DTXSID0038839BRN 1425714
Weitere Namen anzeigen
5-Nitroanthranilonit4-Nitro-2-cyananiline2-Cyan-4-nitroaniline2-CYNO-4 NITRO ANILINE2-cyano-4-nitro-anilin5-nitro-anthranilonitril
ANILINE, 2-CYANO-4-NITRO-EINECS 241-446-84-NITRO-2-CYANOANILINEDTXCID80188393-14-00-00980 (Beilstein Handbook Reference)AMINO-5-NITROBENZONITRILE, 2-2Kyan4nitroanilin2Cyano4nitroaniline

Datenbank-Bezeichner

CAS
17420-30-3
PubChem CID
28532
DTXSID
DTXSID0038839
ChEMBL
CHEMBL3560683
UNII
SEZ79WRA1J
EC Number
241-446-8
Nikkaji
J55.215A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,8
Polarare Oberfläche (TPSA)
95,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
0
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitroanilines
Physical DescriptionYellow powder; [Alfa Aesar MSDS]
Collision Cross Section125.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0038839]

Physikochemische Eigenschaften

Schmelzpunkt
200 · 200-207 °C(lit.)
Siedepunkt
290.19 °C · 290.19°C (rough estimate)
Dichte
1.4141 · 1.4141 (rough estimate)
Brechungsindex
1.55 · 1.5500 (estimate)
Flammpunkt
234 °C · 234 °C
storage temp.
Keep in dark place,Inert atmosphere,Room temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 56.2% (9 of 16) of all reports.

Warning

H315 (37.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 16 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Gefahrenhinweise

Regulatory InformationStatus: No longer Valid Update: 25-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31682
Hazards SummaryCauses impaired liver function tests, changes in liver weight, and other blood changes in 30-day intermittent oral studies of rats; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See NITRILES. See p-Nitroaniline.
Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (37.5%)

Acute toxicity (Oral) - Category 5

Toxikologische Informationen

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Sicherheitsdaten

wgk
2
tsca
TSCA listed
hs_code
29269090
RTECS-Nr.
BX2500000
risk_code
20/21/22-36/37/38
Toxizität
mouse,LD50,oral,6710mg/kg (6710mg/kg),Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(1), Pg. 50, 1986.

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzonitrile, 2-amino-5-nitro-: ACTIVE

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
河北永泰供应链管理有限公司15130657697 15130657697 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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