3,5-Dinitrobenzonitrile

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Names

[ Name ]:
3,5-Dinitrobenzonitrile

[Synonym ]:
BENZONITRILE,3,5-DINITRO
3,5-bisnitrobenzonitrile
MFCD00007228
5-Cyano-1,3-dinitrobenzene
1,3-dinitro-5-cyanobenzene
3,5-dinitrobenzenecarbonitrile
3,5-(NO2)2C6H3CN
3,5-dinitro-benzonitrile
1-cyano-3,5-dinitrobenzene
3,5-Dinitro-benzonitril
EINECS 223-889-9

Chemical & Physical Properties

[ Density]:
1.55g/cm3

[ Boiling Point ]:
302.7ºC at 760mmHg

[ Melting Point ]:
126-130 °C(lit.)

[ Molecular Formula ]:
C₇H₃N₃O₄

[ Molecular Weight ]:
193.11600

[ Flash Point ]:
136.9ºC

[ Exact Mass ]:
193.01200

[ PSA ]:
115.43000

[ LogP ]:
2.42108

[ Index of Refraction ]:
1.615

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DI4365000

CHEMICAL NAME :: Benzonitrile, 3,5-dinitro-

CAS REGISTRY NUMBER :: 4110-35-4

LAST UPDATED :: 198611

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H3-N3-O4

MOLECULAR WEIGHT :: 193.13

WISWESSER LINE NOTATION :: WNR CNW ECN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 300 mg/kg

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

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 41,41,1986

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 mg/kg

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

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#05215

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H312-H315-H319-H332-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

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

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
3276

[ WGK Germany ]:
3

[ RTECS ]:
DI4365000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Nitromide
(3,5-dinitrophenyl)chlorodiazirine
3,5-DINITROBENZALDEHYDE
methoxy(3,5-dinitrophenyl)methanimine
Benzenesulfonamide
3,5-Dinitrobenzoic acid
3-azido-3-(3,5-dinitrophenyl)-3H-diazirine

DownStream

2-methoxy-3,5-dinitrobenzonitrile
Methyl 3,5-dinitrobenzoate
3,5-Difluorobenzonitrile
3-amino-5-nitrobenzonitrile
Nitromide
3,5-Diaminobenzonitrile
3-Methoxy-5-Nitrobenzonitrile
3-Fluoro-5-nitrobenzonitrile
3-(dimethylamino)-5-nitrobenzonitrile
2-[3-cyano-5-(oxaloamino)anilino]-2-oxoacetic acid

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%

Related Compounds

2-amino-3,5-dinitrobenzonitrile
2-amino-3,5-dinitrobenzonitrile
4-amino-3,5-dinitrobenzonitrile
2-methyl-3,5-dinitrobenzonitrile
4-Methyl-3,5-dinitrobenzonitrile
2-chloro-3,5-dinitrobenzonitrile
2-(2-Amino-2-methylpropyl)-4-nitrophenol
2-(4-Aminobutan-2-yl)-4-nitrophenol
7-(1-Isocyanatocyclopropyl)quinoline
6-(1-Isocyanatocyclopropyl)quinoline
5-(1-Isocyanatocyclopropyl)isoquinoline
3-(2-Fluoro-4-methylphenyl)-3-methylbutanoic acid
3-(2-Fluoro-3-methylphenyl)-3-methylbutanoic acid
3-(3-Fluoro-2-methylphenyl)-3-methylbutanoic acid
1-[(5-Fluoro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-ol
2-(4-(Cyclopropylmethoxy)-3-fluorophenyl)ethanol

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