4-Chloro-3-nitrobenzonitrile structure
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Common Name | 4-Chloro-3-nitrobenzonitrile | ||
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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 |
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Synonym | More Synonyms |
Density | 1.5±0.1 g/cm3 |
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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 |
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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 |
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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% |
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- |