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939-80-0

939-80-0 structure
939-80-0 structure

Name 4-Chloro-3-nitrobenzonitrile
Synonyms 4-Chloro-3-nitrobenzonitrile
EINECS 213-364-2
MFCD00016987
Benzonitrile, 4-chloro-3-nitro-
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

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
Symbol GHS07
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%

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Literature: Tidwell; Jones; Geratz; Ohemeng; Cory; Hall Journal of Medicinal Chemistry, 1990 , vol. 33, # 4 p. 1252 - 1257

~85%

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Literature: Rao, C. Someswara; Rambabu, M.; Srinivasan, P. S. Synthetic Communications, 1989 , vol. 19, # 7,8 p. 1431 - 1436

~88%

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Literature: Kokel, Bruno; Menichi, Gabriel; Hubert-Habart, Michel Synthesis, 1985 , # 2 p. 201 - 202

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Detail
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

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Literature: WO2011/56635 A1, ; WO 2011/056635 A1

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Literature: Rezaei, Ramin; Mohammadi, Mohammad Kazem; Rastin, Nedaa Chinese Journal of Chemistry, 2010 , vol. 28, # 6 p. 993 - 996

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939-80-0

Literature: Journal of the Chemical Society, , p. 1672,1676

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939-80-0

Literature: Journal fuer Praktische Chemie (Leipzig), , vol. <2> 37, p. 197

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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%