CAS 939-80-0|4-Chloro-3-nitrobenzonitrile
| Common Name | 4-Chloro-3-nitrobenzonitrile | ||
|---|---|---|---|
| CAS Number | 939-80-0 | Molecular Weight | 182.564 |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 284.8±25.0 °C at 760 mmHg |
| Molecular Formula | C7H3ClN2O2 | Melting Point | 98-100 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 126.0±23.2 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 4-Chloro-3-nitrobenzonitrile |
|---|---|
| Synonym | More Synonyms |
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 |
| InChIKey | XBLPHYSLHRGMNW-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc(Cl)c([N+](=O)[O-])c1 |
Toxicological Information
CHEMICAL IDENTIFICATION |
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 |
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% |
Articles5
More Articles| Novel radiotracers for imaging the serotonin transporter by positron emission tomography: synthesis, radiosynthesis, and in vitro and ex vivo evaluation of (11)C-labeled 2-(phenylthio)araalkylamines. 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... |
Synonyms
| 4-Chloro-3-nitrobenzonitrile |
| EINECS 213-364-2 |
| MFCD00016987 |
| Benzonitrile, 4-chloro-3-nitro- |
