4-Chloro-3-nitrobenzonitrile
4-Chloro-3-nitrobenzonitrile structure
|
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 | Chinese USA | Flash Point | 126.0±23.2 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
| Name | 4-Chloro-3-nitrobenzonitrile |
|---|---|
| Synonym | More Synonyms |
| 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 |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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| 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 |
|
~88%
4-Chloro-3-nitr... CAS#:939-80-0 |
| Literature: Tidwell; Jones; Geratz; Ohemeng; Cory; Hall Journal of Medicinal Chemistry, 1990 , vol. 33, # 4 p. 1252 - 1257 |
|
~85%
4-Chloro-3-nitr... CAS#:939-80-0 |
| Literature: Rao, C. Someswara; Rambabu, M.; Srinivasan, P. S. Synthetic Communications, 1989 , vol. 19, # 7,8 p. 1431 - 1436 |
|
~88%
4-Chloro-3-nitr... CAS#:939-80-0 |
| Literature: Kokel, Bruno; Menichi, Gabriel; Hubert-Habart, Michel Synthesis, 1985 , # 2 p. 201 - 202 |
|
~0%
4-Chloro-3-nitr... CAS#:939-80-0
Detail
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| Literature: Agafonov, N. E.; Sedishev, I. P.; Dudin, A. V.; Kutin, A. A.; Stashina, G. A.; Zhulin, V. M. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1991 , vol. 40, # 2.2 p. 366 - 372 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1991 , # 2 p. 426 - 433 |
|
~%
4-Chloro-3-nitr... CAS#:939-80-0 |
| Literature: WO2011/56635 A1, ; WO 2011/056635 A1 |
|
~83%
4-Chloro-3-nitr... CAS#:939-80-0 |
| Literature: Rezaei, Ramin; Mohammadi, Mohammad Kazem; Rastin, Nedaa Chinese Journal of Chemistry, 2010 , vol. 28, # 6 p. 993 - 996 |
|
~%
4-Chloro-3-nitr... CAS#:939-80-0 |
| Literature: Journal of the Chemical Society, , p. 1672,1676 |
|
~%
4-Chloro-3-nitr... CAS#:939-80-0 |
| Literature: Journal fuer Praktische Chemie (Leipzig), , vol. <2> 37, p. 197 |
|
~%
4-Chloro-3-nitr... CAS#:939-80-0 |
| Literature: Journal of the Chemical Society, , p. 1117 |
| 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% |
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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... |
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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 ... |
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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... |
| 4-Chloro-3-nitrobenzonitrile |
| EINECS 213-364-2 |
| MFCD00016987 |
| Benzonitrile, 4-chloro-3-nitro- |
- Shanghai Jizhi Biochemical Technology Co., Ltd
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- Product Name: 4-Chloro-3-nitrobenzonitrile
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- Purity: 98.0%
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- Henan Tianfu Chemical Co., Ltd.
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- Product Name: CAS No.939-80-0 4-CHLORO-3-NITROBENZONITRILE
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- Purity: 99.0%
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