3,5-Dinitrobenzonitrile

Modify Date: 2024-01-15 12:28:44

3,5-Dinitrobenzonitrile Structure
3,5-Dinitrobenzonitrile structure
 Common Name 3,5-Dinitrobenzonitrile
CAS Number 4110-35-4 Molecular Weight 193.11600
Density 1.55g/cm3 Boiling Point 302.7ºC at 760mmHg
Molecular Formula C7H3N3O4 Melting Point 126-130 °C(lit.)
MSDS Chinese USA Flash Point 136.9ºC
Symbol GHS07
GHS07		 Signal Word Warning

 Names

Name 3,5-Dinitrobenzonitrile
Synonym More Synonyms

 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

 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
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

Nitromide structure

Nitromide

CAS#:121-81-3

~95%

3,5-Dinitrobenzonitrile Structure

3,5-Dinitrobenz...

CAS#:4110-35-4

Literature: Mai, Khuong; Patil, Ghanshyam Tetrahedron Letters, 1986 , vol. 27, # 20 p. 2203 - 2206
(3,5-dinitrophenyl)chlorodiazirine structure

(3,5-dinitrophe...

CAS#:153621-95-5

~%

3,5-Dinitrobenzonitrile Structure

3,5-Dinitrobenz...

CAS#:4110-35-4

3-azido-3-(3,5-dinitrophenyl)-3H-diazirine structure

3-azido-3-(3,5-...

CAS#:153621-98-8

Literature: Creary, Xavier Journal of Organic Chemistry, 1993 , vol. 58, # 27 p. 7700 - 7708
3,5-DINITROBENZALDEHYDE structure

3,5-DINITROBENZ...

CAS#:14193-18-1

~%

3,5-Dinitrobenzonitrile Structure

3,5-Dinitrobenz...

CAS#:4110-35-4

Literature: Reddy, M.B.Madhusudana; Pasha Synthetic Communications, 2011 , vol. 41, # 14 p. 2081 - 2085
methoxy(3,5-dinitrophenyl)methanimine structure

methoxy(3,5-din...

CAS#:86475-51-6

~%

3,5-Dinitrobenzonitrile Structure

3,5-Dinitrobenz...

CAS#:4110-35-4

Literature: Creary, Xavier Journal of Organic Chemistry, 1993 , vol. 58, # 27 p. 7700 - 7708
Benzenesulfonamide structure

Benzenesulfonamide

CAS#:98-10-2

3,5-Dinitrobenzoic acid structure

3,5-Dinitrobenz...

CAS#:99-34-3

~%

3,5-Dinitrobenzonitrile Structure

3,5-Dinitrobenz...

CAS#:4110-35-4

Literature: Oxley et al. Journal of the Chemical Society, 1946 , p. 763,766
3-azido-3-(3,5-dinitrophenyl)-3H-diazirine structure

3-azido-3-(3,5-...

CAS#:153621-98-8

~%

3,5-Dinitrobenzonitrile Structure

3,5-Dinitrobenz...

CAS#:4110-35-4

Literature: Creary, Xavier Journal of Organic Chemistry, 1993 , vol. 58, # 27 p. 7700 - 7708
Benzenesulfonamide structure

Benzenesulfonamide

CAS#:98-10-2

3,5-Dinitrobenzoic acid structure

3,5-Dinitrobenz...

CAS#:99-34-3

~%

3,5-Dinitrobenzonitrile Structure

3,5-Dinitrobenz...

CAS#:4110-35-4

Ammoniumbenzenesulfonate structure

Ammoniumbenzene...

CAS#:19402-64-3

Detail
Literature: Oxley et al. Journal of the Chemical Society, 1946 , p. 763,766

 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%

 Synonyms

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
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