[ CAS No. 97483-79-9 ]

Name: 97483-79-9|Ethyl 6-cyanopicolinate|95%
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Product Details of [ 97483-79-9 ]

CAS No. :	97483-79-9	MDL No. :	MFCD09261080
Formula :	C₉H₈N₂O₂	Boiling Point :	330.0±27.0°C at 760 mmHg
Linear Structure Formula :	-	InChI Key :	-
M.W :	176.17 g/mol	Pubchem ID :	13415158
Synonyms :

Calculated chemistry of of [ 97483-79-9 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.22
Num. rotatable bonds :	3
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	45.04
TPSA :	62.98 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.34 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.92
Log Po/w (XLOGP3) :	1.46
Log Po/w (WLOGP) :	1.13
Log Po/w (MLOGP) :	0.04
Log Po/w (SILICOS-IT) :	1.51
Consensus Log Po/w :	1.21

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.0
Solubility :	1.78 mg/ml ; 0.0101 mol/l
Class :	Very soluble
Log S (Ali) :	-2.39
Solubility :	0.72 mg/ml ; 0.00408 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.59
Solubility :	0.454 mg/ml ; 0.00258 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.02

Safety of [ 97483-79-9 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 97483-79-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 97483-79-9 ]
Downstream synthetic route of [ 97483-79-9 ]

[ 97483-79-9 ] Synthesis Path-Upstream 1~5

1
[ 617-35-6 ]
[ 100-70-9 ]
[ 58481-14-4 ]
[ 97483-79-9 ]

Reference： [1] Heterocycles, 1987, vol. 26, # 3, p. 731 - 744
[2] Heterocycles, 1987, vol. 26, # 3, p. 731 - 744

2
[ 21190-88-5 ]
[ 97483-79-9 ]

Yield	Reaction Conditions	Operation in experiment
60%	for 16 h; Inert atmosphere; Reflux	CuCN (31,1g, 348mmol) was added into ethyl 6-bromopicolinate (16 g, 69.5mmol) in 608ml pyridine. The mixture was refluxed under argon for 16h, filtered through celite, and concentrated in vacuo. Saturated NaHCO₃ solution was added followed by extracted with DCM for three times. The mixture was purified with flash chromatography in hexane/EE=1:1. TLC [hexane/EE 1:1]: R_f = 0.65 Yield: 7.3 g,(60percent). ¹HNMR (600 MHz, CDCl₃): δ= 8.32(dd, 1H, J=1.15, 7.97Hz), 8.04(t, 1H,J=7.86, 7.86Hz), 7.88 (dd, 1H, J=1.13, 7.76Hz), 4.52(q, 2H, J=7.13, 7.13,7.12Hz), 1.40(t, 3H, J=7.13, 7.13Hz). ¹³C NMR (300 MHz, CDCl₃): δ= 163.76,150.06, 138.70, 134,23, 131.40, 128.12, 116.62, 62.89, 14.44 HRMS: 177.0669[M +H], calculated 177.0664[M + H] +.
60%	for 16 h; Inert atmosphere; Reflux	CuCN (31,1g, 348mmol) was added into ethyl 6-bromopicolinate (16 g, 69.5mmol) in 608 ml pyridine. The mixture was refluxed under argon for 16h, filtered through celite, and concentrated in vacuo. Saturated NaHCO₃ solution was added followed by extracted with DCM for three times. The mixture was purified with flash chromatography in hexane/EE=1:1. TLC [hexane/EE 1:1]: R_f = 0.65 Yield: 7.3 g,(60percent). ¹HNMR (600 MHz, CDCl₃): δ= 8.32(dd, 1H, J=1.15, 7.97Hz), 8.04(t, 1H,J=7.86, 7.86Hz), 7.88 (dd, 1H, J=1.13, 7.76Hz), 4.52(q, 2H, J=7.13, 7.13,7.12Hz), 1.40(t, 3H, J=7.13, 7.13Hz). ¹³C NMR (300 MHz, CDCl₃): δ= 163.76,150.06, 138.70, 134,23, 131.40, 128.12, 116.62, 62.89, 14.44 HRMS: 177.0669[M +H], calculated 177.0664[M + H] +.

Reference： [1] Patent: EP2690102, 2014, A1, . Location in patent: Paragraph 0070; 0073
[2] Patent: WO2014/15993, 2014, A1, . Location in patent: Page/Page column 35

3
[ 21190-88-5 ]
[ 97483-79-9 ]

Reference： [1] Journal of Medicinal Chemistry, 2013, vol. 56, # 10, p. 3922 - 3935

4
[ 30062-31-8 ]
[ 7677-24-9 ]
[ 97483-79-9 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1985, vol. 33, # 2, p. 565 - 571

5
[ 617-35-6 ]
[ 100-70-9 ]
[ 58481-14-4 ]
[ 97483-79-9 ]

Reference： [1] Heterocycles, 1987, vol. 26, # 3, p. 731 - 744
[2] Heterocycles, 1987, vol. 26, # 3, p. 731 - 744

[ 97483-79-9 ] Synthesis Path-Downstream 1~31

1
[ 617-35-6 ]
[ 100-70-9 ]
[ 58481-14-4 ]
[ 97483-79-9 ]

Reference： [1]Heterocycles,1987,vol. 26,p. 731 - 744
[2]Heterocycles,1987,vol. 26,p. 731 - 744

2
[ 30062-31-8 ]
[ 7677-24-9 ]
[ 97483-79-9 ]

Reference： [1]Chemical and pharmaceutical bulletin,1985,vol. 33,p. 565 - 571

3
[ 97483-79-9 ]
1-{3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]nonan-9-yl}-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 3922 - 3935

4
[ 97483-79-9 ]
9-(3,5-dichlorophenylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,9-diazabicyclo[3.3.1]nonan-2-one [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 3922 - 3935

5
[ 97483-79-9 ]
9-(benzo[d]thiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,9-diazabicyclo[3.3.1]nonan-2-one [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 3922 - 3935

6
[ 97483-79-9 ]
6-{3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]nonan-9-ylsulfonyl}benzo[d]thiazol-2(3H)-one [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 3922 - 3935

7
[ 97483-79-9 ]
6-(2-oxo-3,9-diazabicyclo[3.3.1]nonan-9-ylsulfonyl)benzo[d]thiazol-2(3H)-one [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 3922 - 3935

8
[ 97483-79-9 ]
1-(3-ethyl-2-oxo-3,9-diazabicyclo[3.3.1]nonan-9-yl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 3922 - 3935

9
[ 97483-79-9 ]
1-{3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]nonan-9-yl}-3,3-dimethylpentane-1,2-dione [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 3922 - 3935

10
[ 97483-79-9 ]
[ 1433825-94-5 ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 3922 - 3935
[2]Patent: EP2690102,2014,A1
[3]Patent: WO2014/15993,2014,A1

11
[ 97483-79-9 ]
[ 1433826-00-6 ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 3922 - 3935
[2]Patent: EP2690102,2014,A1
[3]Patent: WO2014/15993,2014,A1

12
[ 97483-79-9 ]
benzyl 2-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxylate [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 3922 - 3935

13
[ 97483-79-9 ]
benzyl 3-(2-(3,4-dimethoxyphenoxy)ethyl)-2-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxylate [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 3922 - 3935

14
[ 97483-79-9 ]
benzyl 3-ethyl-2-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxylate [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 3922 - 3935

15
[ 97483-79-9 ]
3-(2-(3,4-dimethoxyphenoxy)ethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 3922 - 3935

16
[ 97483-79-9 ]
3-ethyl-3,9-diazabicyclo[3.3.1]nonan-2-one [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 3922 - 3935

17
[ 97483-79-9 ]
3,9-diazabicyclo[3.3.1]nonan-2-one [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 3922 - 3935

18
[ 97483-79-9 ]
C₁₇H₂₄N₂O₄ [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 3922 - 3935
[2]Patent: EP2690102,2014,A1
[3]Patent: WO2014/15993,2014,A1

19
[ 24424-99-5 ]
[ 97483-79-9 ]
[ 1433825-88-7 ]

Yield	Reaction Conditions	Operation in experiment
68%	With hydrogen; nickel; In methanol; at 20.0℃; under 760.051 Torr; for 24.0h;Inert atmosphere;	Ethyl 6-cyanopicolinate (7.87g, 44.7mmol) was dissovled in MeOH under argon and degased followed by addition of Boc2O (19.5g, 89mmol), catalytical amount Ni-catalyst and by degasing with argon again. The reaction was stirred under 1 atm H2 at room temperature for 24h, filtered through celite, and concentrated in vacuo. The mixture was purified with flash chromatography in EE/DCM=1:5. TLC [EE/DCM 1:5]: Rf = 0.34. Yield: 8.74g, (68%).
68%	With hydrogen; nickel; In methanol; at 20.0℃; under 760.051 Torr; for 24.0h;Inert atmosphere;	Ethyl 6-cyanopicolinate (7.87g, 44.7mmol) was dissovled in MeOH under argon and degased followed by addition of Boc2O (19.5g, 89mmol), catalytical amount Ni-catalyst and by degasing with argon again. The reaction was stirred under 1 atm H2 at room temperature for 24h, filtered through celite, and concentrated in vacuo. The mixture was purified with flash chromatography in EE/DCM=1:5. TLC [EE/DCM 1:5]: Rf = 0.34. Yield: 8.74g, (68%).

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 3922 - 3935
[2]Patent: EP2690102,2014,A1 .Location in patent: Paragraph 0070; 0074
[3]Patent: WO2014/15993,2014,A1 .Location in patent: Page/Page column 35; 36

20
copper(l) cyanide [ No CAS ]
[ 21190-88-5 ]
[ 97483-79-9 ]

Yield	Reaction Conditions	Operation in experiment
72%	for 6h;Reflux; Inert atmosphere;	Solid ethyl 6-bromopicolinate (1 eq., 65.2 mmol, 15.0 g) and cuprous cyanide (2 eq., 130.4 mmol, 11.68g) were added to a 250-mL round bottomed flask equipped with a stir bar. To the round bottomed flask was added anhydrous pyridine (60 mL). Under rapid stirring, the mixture was refluxed under argon for 6 hours. The flask was removed from the hot oil bath, and the black tarry mixture that remained in the flask was diluted with hot toluene (100 mL). To the diluted mixture was added celite powder (-20 g), and the mixture was allowed to stir for -20 minutes to allow the toluene to penetrate the tarry residue, then the celite/tar was filtered through a bed of celite and washed with hot toluene (50 mL). The filtrate was decanted into a 500-mL round bottom flask, and the solvents were removed under reduced pressure to yield a thick, black residue. The residue was redissolved in ethyl acetate (400 mL), and the solution was transferred to a separatory funnel, diluted with 1 M citric acid (300 mL), and the aqueous layer was extracted with ethyl acetate (2 x 200 mL). The combined organic layers were dried over MgS04 and filtered, and concentrated under reduced pressure to yield an orange solid, which was recrystallized from boiling hexanes to yield a white crystalline solid. The white solid was collected by suction filtration, washed with cold hexanes, and dried under high vacuum to give. Yield: 8.23 g (46.7 mmol, 72%). FontWeight="Bold" FontSize="10" H NMR (CDCb, 400 MHz) delta 1.46 (t, J = 7.1 Hz, 3H), 4.52 (q, J= 7.1 Hz, 2H), 7.90 (dd, J= 7.8, 1.1 Hz, 1H), 8.06 (t, J= 7.9 Hz, 1H), 8.34 (dd, J= 8.0, 1.1 Hz, 1H). 13C NMR (CDCb, 100 MHz) delta 14.2, 62.6, 116.3, 127.9, 131.1, 133.9, 138.4, 149.7, 163.5. ESI-MS m/z 111 ([M+H]+, 46%), 149 (90%). ESI- HRMS m/z 111 calc'd for C9H9O2N2 ([M+H]+) 177.0659, found 177.0656

Reference： [1]Patent: WO2018/231843,2018,A1 .Location in patent: Paragraph 0116
[2]Journal of Medicinal Chemistry,2013,vol. 56,p. 3922 - 3935

21
[ 97483-79-9 ]
1-(3-(2-(3,4-dimethoxyphenoxy)ethyl)-2-oxo-3,9-diazabicyclo[3.3.1]nonan-9-yl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione [ No CAS ]

Reference： [1]Patent: EP2690102,2014,A1
[2]Patent: WO2014/15993,2014,A1

22
[ 97483-79-9 ]
[ 1433826-17-5 ]

Reference： [1]Patent: EP2690102,2014,A1
[2]Patent: WO2014/15993,2014,A1

23
[ 97483-79-9 ]
[ 1433826-29-9 ]

Reference： [1]Patent: EP2690102,2014,A1
[2]Patent: WO2014/15993,2014,A1

24
[ 97483-79-9 ]
1-(3-ethyl-2-oxo-3,9-diazabicyclo[3.3.1]nonan-9-yl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione [ No CAS ]

Reference： [1]Patent: EP2690102,2014,A1
[2]Patent: WO2014/15993,2014,A1

25
[ 97483-79-9 ]
1-(3-(2-(3,4-dimethoxyphenoxy)ethyl)-2-oxo-3,9-diazabicyclo[3.3.1]nonan-9-yl)-3,3-dimethylpentane-1,2-dione [ No CAS ]

Reference： [1]Patent: EP2690102,2014,A1
[2]Patent: WO2014/15993,2014,A1

26
[ 97483-79-9 ]
[ 1433826-07-3 ]

Reference： [1]Patent: EP2690102,2014,A1
[2]Patent: WO2014/15993,2014,A1

27
[ 97483-79-9 ]
[ 1433826-13-1 ]

Reference： [1]Patent: EP2690102,2014,A1
[2]Patent: WO2014/15993,2014,A1

28
[ 97483-79-9 ]
[ 1433826-26-6 ]

Reference： [1]Patent: EP2690102,2014,A1
[2]Patent: WO2014/15993,2014,A1

29
[ 97483-79-9 ]
9-(3,5-dichlorophenylsulfonyl)-3-(2-(3,4-dimethoxyphenoxy)ethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one [ No CAS ]

Reference： [1]Patent: EP2690102,2014,A1
[2]Patent: WO2014/15993,2014,A1

30
[ 21190-88-5 ]
copper(II) cyanide [ No CAS ]
[ 97483-79-9 ]

Yield	Reaction Conditions	Operation in experiment
60%	With pyridine; for 16h;Inert atmosphere; Reflux;	CuCN (31,1g, 348mmol) was added into ethyl 6-bromopicolinate (16 g, 69.5mmol) in 608ml pyridine. The mixture was refluxed under argon for 16h, filtered through celite, and concentrated in vacuo. Saturated NaHCO3 solution was added followed by extracted with DCM for three times. The mixture was purified with flash chromatography in hexane/EE=1:1. TLC [hexane/EE 1:1]: Rf = 0.65 Yield: 7.3 g,(60%). 1HNMR (600 MHz, CDCl3): delta= 8.32(dd, 1H, J=1.15, 7.97Hz), 8.04(t, 1H,J=7.86, 7.86Hz), 7.88 (dd, 1H, J=1.13, 7.76Hz), 4.52(q, 2H, J=7.13, 7.13,7.12Hz), 1.40(t, 3H, J=7.13, 7.13Hz). 13C NMR (300 MHz, CDCl3): delta= 163.76,150.06, 138.70, 134,23, 131.40, 128.12, 116.62, 62.89, 14.44 HRMS: 177.0669[M +H], calculated 177.0664[M + H] +.
60%	With pyridine; for 16h;Inert atmosphere; Reflux;	CuCN (31,1g, 348mmol) was added into ethyl 6-bromopicolinate (16 g, 69.5mmol) in 608 ml pyridine. The mixture was refluxed under argon for 16h, filtered through celite, and concentrated in vacuo. Saturated NaHCO3 solution was added followed by extracted with DCM for three times. The mixture was purified with flash chromatography in hexane/EE=1:1. TLC [hexane/EE 1:1]: Rf = 0.65 Yield: 7.3 g,(60%). 1HNMR (600 MHz, CDCl3): delta= 8.32(dd, 1H, J=1.15, 7.97Hz), 8.04(t, 1H,J=7.86, 7.86Hz), 7.88 (dd, 1H, J=1.13, 7.76Hz), 4.52(q, 2H, J=7.13, 7.13,7.12Hz), 1.40(t, 3H, J=7.13, 7.13Hz). 13C NMR (300 MHz, CDCl3): delta= 163.76,150.06, 138.70, 134,23, 131.40, 128.12, 116.62, 62.89, 14.44 HRMS: 177.0669[M +H], calculated 177.0664[M + H] +.

Reference： [1]Patent: EP2690102,2014,A1 .Location in patent: Paragraph 0070; 0073
[2]Patent: WO2014/15993,2014,A1 .Location in patent: Page/Page column 35

31
[ 97483-79-9 ]
[ 872602-74-9 ]

Yield	Reaction Conditions	Operation in experiment
82%	With hydrogenchloride; water; for 1.0h;	To a 100-mL round bottom flask was added 40 mL of IN HC1 (aq). The flask was lowered into a 100C oil bath until the aqueous solution began to boil. While rapidly stirring, solid 6-cyanopicolinic acid ethyl ester (28.95 mmol, 5.10 g) was added to the boiling solution, and a vacuum adapter equipped with a glass frit was inserted into the top joint to limit the rate of water evaporation but allow for the removal of ethanol as the starting material was hydrolyzed. Because of the low melting point of the starting material, the reaction mixture was initially biphasic, but the biphasic mixture was slowly converted to a homogeneous solution as the starting material was consumed. The solution was stirred for one hour, and then the flask was removed from the oil bath and allowed to cool to room temperature under medium stirring to permit crystallization of the product. To complete crystallization, the mixture was stirred at 0C for another hour. The white precipitate was collected by suction filtration, washed with ice cold water (30 mL), followed by one portion (30 mL) of hot hexanes and one portion (30 mL) of 1 : 1 hexanes :dichlorome thane. The white solid was then recrystallized from boiling toluene, collected by vacuum filtration, and washed with additional toluene. Yield: 3.50 g (23.63 mmol, 82%). FontWeight="Bold" FontSize="10" H NMR (Acetone-d6, 400 MHz) delta 8.22 (dd, J = 7.7, 1.2 Hz, 1H), 8.34 (t, J= 7.8 Hz, 1H), 8.42 (dd, J= 8.0, 1.2 Hz, 1H), 11.96 (s, br, 1H). 13C NMR (Acetone-d6, 100 MHz) delta 117.4, 128.7, 132.6, 133.9, 140.5, 150.2, 164.6. ESI- HRMS m/z 149 calc'd for C7H5O2N2 ([M+H]+) 149.0346, found 149.0342.

Reference： [1]Patent: WO2018/231843,2018,A1 .Location in patent: Paragraph 0011; 0117

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
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P103	Read label before use
Prevention
Code	Phrase
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P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
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P264	Wash hands thoroughly after handling.
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P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 97483-79-9 ]

Quality Control of [ 97483-79-9 ]

Related Doc. of [ 97483-79-9 ]

Product Details of [ 97483-79-9 ]

Calculated chemistry of of [ 97483-79-9 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 97483-79-9 ]

Application In Synthesis of [ 97483-79-9 ]

[ 97483-79-9 ] Synthesis Path-Upstream 1~5

[ 97483-79-9 ] Synthesis Path-Downstream 1~31

Related Functional Groups of [ 97483-79-9 ]

Nitriles

Esters

Related Parent Nucleus of [ 97483-79-9 ]

Pyridines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 97483-79-9 ]

Related Parent Nucleus of
[ 97483-79-9 ]