3,5-Dinitrobenzonitrile

Suppliers

Names

[ CAS No. ]:
4110-35-4

[ 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
  • Benzeneacetamide, N-[4-[[2,5-dioxo-1-[4-(2-phenyldiazenyl)phenyl]-3-pyrrolidinyl]thio]phenyl]-
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenoxy]-N-methylacetamide
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine