4-Chloro-3-nitrobenzonitrile
Names
[ CAS No. ]:
939-80-0
[ Name ]:
4-Chloro-3-nitrobenzonitrile
[Synonym ]:
4-Chloro-3-nitrobenzonitrile
EINECS 213-364-2
MFCD00016987
Benzonitrile, 4-chloro-3-nitro-
Chemical & Physical Properties
[ Density]:
1.5±0.1 g/cm3
[ Boiling Point ]:
284.8±25.0 °C at 760 mmHg
[ Melting Point ]:
98-100 °C(lit.)
[ Molecular Formula ]:
C7H3ClN2O2
[ Molecular Weight ]:
182.564
[ Flash Point ]:
126.0±23.2 °C
[ Exact Mass ]:
181.988312
[ PSA ]:
69.61000
[ LogP ]:
1.50
[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C
[ Index of Refraction ]:
1.599
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DI3050000
- CHEMICAL NAME :
- Benzonitrile, 4-chloro-3-nitro-
- CAS REGISTRY NUMBER :
- 939-80-0
- BEILSTEIN REFERENCE NO. :
- 1639111
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C7-H3-Cl-N2-O2
- MOLECULAR WEIGHT :
- 182.57
- WISWESSER LINE NOTATION :
- WNR BG ECN
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 :
- 2050 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: -,909,1986
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H315-H319-H335
[ Precautionary Statements ]:
P261-P305 + P351 + P338
[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves
[ Hazard Codes ]:
Xi: Irritant;
[ Risk Phrases ]:
R36/37/38
[ Safety Phrases ]:
S26-S36
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
2
[ RTECS ]:
DI3050000
[ HS Code ]:
2926909090
Synthetic Route
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
J. Med. Chem. 43(16) , 3103-10, (2000)
A series of four 2-(phenylthio)araalkylamines have been radiolabeled with (11)C and evaluated as potential radiotracers for imaging the serotonin transporter (SERT) by positron emission tomography (PE...
Structure-activity relationships of alkyl- and alkoxy-substituted 1,4-dihydroquinoxaline-2,3-diones: potent and systemically active antagonists for the glycine site of the NMDA receptor.J. Med. Chem. 40(5) , 730-8, (1997)
We report on a series of alkyl- and alkoxy-substituted 1,4-dihydroquinoxaline-2,3-diones (QXs), prepared as a continuation of our structure-activity relationship (SAR) study of QXs as antagonists for ...
Vibrational analysis of 4-chloro-3-nitrobenzonitrile by quantum chemical calculations.Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 107 , 248-55, (2013)
In the present study, the experimental and theoretical harmonic and anharmonic vibrational frequencies of 4-chloro-3-nitrobenzonitrile were investigated. The experimental FT-IR (400-4000 cm(-1)) and μ...