3-Nitrobenzonitrile

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Names

[ CAS No. ]:
619-24-9

[ Name ]:
3-Nitrobenzonitrile

[Synonym ]:
m-NO2(C6H4)CN
3-Nitrobenzonitrile
m-Nitrocyanobenzene
EINECS 210-587-7
MFCD00007194
3-CYANONITROBENZENE
Benzonitrile,m-nitro
3-Nitrobenzolcarbonitril
3-Nitrbenzonitrile
3-nitro-benzonitril
3-cyano-1-nitrobenzene
m-nitro-benzonitril
m-Cyanonitrobenzene
Benzonitrile, 3-nitro-
m-Nitrobenzonitrile

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
258.1±23.0 °C at 760 mmHg

[ Melting Point ]:
114-117 °C(lit.)

[ Molecular Formula ]:
C₇H₄N₂O₂

[ Molecular Weight ]:
148.119

[ Flash Point ]:
109.9±22.6 °C

[ Exact Mass ]:
148.027283

[ PSA ]:
69.61000

[ LogP ]:
1.17

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.580

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DI4900000

CHEMICAL NAME :: Benzonitrile, m-nitro-

CAS REGISTRY NUMBER :: 619-24-9

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C7-H4-N2-O2

MOLECULAR WEIGHT :: 148.13

WISWESSER LINE NOTATION :: WNR CCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 250 mg/kg

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

MUTATION DATA

TYPE OF TEST :: DNA repair

TEST SYSTEM :: Bacteria - Bacillus subtilis

DOSE/DURATION :: 500 ug/disc

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 170,11,1986

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H312 + H332

[ Precautionary Statements ]:
P280

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S22-S24/25-S36/37

[ RIDADR ]:
UN 3439 6.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
DI4900000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
29269095

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

3-Nitrobenzaldehyde
1-Nitro-3-oxiranylbenzene
Benzaldehyde, 3-nitro-,oxime
Benzyl cyanide
3-Nitrophenylboronic acid pinacol ester
3-Nitrophenylboronic acid
Benzonitrile
2-Cyano-4-nitroaniline
3-Nitrobenzenemethanol

DownStream

3-Bromo-5-nitrobenzamide
Benzamide,N-methyl-3-nitro-
ALPHA-CHLORO-3-NITROBENZALDOXIME
nitrobenzene
3-Nitrobenzonitrile
3-Nitropropiophenone
N-HYDROXY-3-NITROBENZENECARBOXIMIDAMIDE
3-Fluorobenzonitrile
2H-Tetrazole,5-(3-nitrophenyl)-
3-Nitrobenzimidamide

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

Characterizing synthetic polymers and additives using new ionization methods for mass spectrometry.

Rapid Commun. Mass Spectrom. 28(11) , 1175-84, (2014)

New inlet and vacuum ionization methods provide advantages of specificity, simplicity and speed for the analysis of synthetic polymers and polymer additives directly from surfaces such as fibers using...

Improving the Sensitivity of Matrix-Assisted Ionization (MAI) Mass Spectrometry Using Ammonium Salts.

J. Am. Soc. Mass Spectrom. 26 , 1649-56, (2015)

In matrix-assisted ionization (MAI), analyte incorporated in a small molecule matrix is introduced into an aperture linking atmospheric pressure with the vacuum of a mass spectrometer. Gas-phase analy...

New ionization method for analysis on atmospheric pressure ionization mass spectrometers requiring only vacuum and matrix assistance.

Anal. Chem. 85(4) , 2005-9, (2013)

Matrix assisted ionization vacuum (MAIV) is a new ionization method that does not require high voltages, a laser beam, or applied heat and depends only the proper matrix, 3-nitrobenzonitrile (3-NBN), ...