2-Cyano-4-nitroaniline

Names

[ Name ]:
2-Cyano-4-nitroaniline

[Synonym ]:
Anthranilonitrile, 5-nitro-
EINECS 241-446-8
MFCD00007362
2-Amino-5-nitrobenzonitrile
Benzonitrile, 2-amino-5-nitro-
2-Cyano-4-nitroaniline

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
383.2±32.0 °C at 760 mmHg

[ Melting Point ]:
200-207 °C(lit.)

[ Molecular Formula ]:
C₇H₅N₃O₂

[ Molecular Weight ]:
163.133

[ Flash Point ]:
185.6±25.1 °C

[ Exact Mass ]:
163.038177

[ PSA ]:
95.63000

[ LogP ]:
1.64

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.627

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: BX2500000

CHEMICAL NAME :: Aniline, 2-cyano-4-nitro-

CAS REGISTRY NUMBER :: 17420-30-3

BEILSTEIN REFERENCE NO. :: 1425714

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C7-H5-N3-O2

MOLECULAR WEIGHT :: 163.15

WISWESSER LINE NOTATION :: WNR DZ CCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3884 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,924,1986

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 6710 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 30(1),50,1986 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 34500 mg/kg/30D-I

TOXIC EFFECTS :: Liver - liver function tests impaired Liver - changes in liver weight Blood - other changes

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 30(1),50,1986

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S22-S24/25-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
BX2500000

[ Packaging Group ]:
I; II; III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Precursor & DownStream

Precursor

DownStream

6-nitroquinazoline-2,4-diol
6-Nitro-4-quinazolinol
N'-(2-CYANO-4-NITROPHENYL)-N,N-DIMETHYLIMINOFORMAMIDE
2-IODO-5-NITROBENZOIC ACID
6-Amino-4-(3-chloro-4-fluoroanilino)quinazoline
PD168393
4-(3-Chloro-4-fluoroanilino)-6-nitroquinazoline
3-Nitrobenzonitrile
2-amino-5-nitrothiobenzamide
2,4-DIAMINO-6-NITROQUINAZOLINE

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Design, Synthesis, and Biological Evaluation of Novel Quinazoline Derivatives as Anti-inflammatory Agents against Lipopolysaccharide-induced Acute Lung Injury in Rats.

Chem. Biol. Drug Des. 85 , 672-84, (2015)

Quinazoline has been reported to exhibit multiple bioactivities. The aim of this study was to discover new quinazoline derivatives with preventive effect on lipopolysaccharide-induced acute lung injur...

SERRS dyes. Part 3. Synthesis of reactive benzotriazole azo dyes for surface enhanced resonance Raman scattering.

Analyst 129(10) , 975-8, (2004)

A series of eleven specially designed benzotriazole monoazo dyes for use in surface enhanced resonance Raman scattering studies are reported. Unlike previous benzotriazole dyes produced for SERRS, the...

Synthesis and biological evaluation of 3,5-diaminoindazoles as cyclin-dependent kinase inhibitors.

Bioorg. Med. Chem. Lett. 18(7) , 2292-5, (2008)

A novel series of 3,5-diaminoindazoles were prepared and found to be CDK inhibitors. Potent inhibitors against CDK1 and CDK2 were obtained by introduction of 1lambda(6)-isothiazolidine-1,1-dioxide at ...