152398-05-5|3-Aminopyridine-4-methanol| Ambeed

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Quality Control of [ 152398-05-5 ] Purity: 97% SDS Specification

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Product Details of [ 152398-05-5 ]

CAS No. :	152398-05-5
Formula :	C₆H₈N₂O
M.W :	124.14
SMILES Code :	OCC1=C(N)C=NC=C1
MDL No. :	MFCD06658330
InChI Key :	VXHFPFMVXWCZLH-UHFFFAOYSA-N
Pubchem ID :	14950620

Safety of [ 152398-05-5 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302
Precautionary Statements:	P280-P305+P351+P338

Computational Chemistry of [ 152398-05-5 ] Show Less

Physicochemical Properties

Num. heavy atoms	9
Num. arom. heavy atoms	6
Fraction Csp3	0.17
Num. rotatable bonds	1
Num. H-bond acceptors	2.0
Num. H-bond donors	2.0
Molar Refractivity	34.77
TPSA ? Topological Polar Surface Area: Calculated from Ertl P. et al. 2000 J. Med. Chem.	59.14 Å²

Lipophilicity

Log P_o/w (iLOGP)? iLOGP: in-house physics-based method implemented from Daina A et al. 2014 J. Chem. Inf. Model.	0.95
Log P_o/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry	-0.16
Log P_o/w (WLOGP)? WLOGP: Atomistic method implemented from Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.	0.01
Log P_o/w (MLOGP)? MLOGP: Topological method implemented from Moriguchi I. et al. 1992 Chem. Pharm. Bull. Moriguchi I. et al. 1994 Chem. Pharm. Bull. Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.	-0.75
Log P_o/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	0.49
Consensus Log P_o/w? Consensus Log P_o/w: Average of all five predictions	0.11

Water Solubility

Log S (ESOL):? ESOL: Topological method implemented from Delaney JS. 2004 J. Chem. Inf. Model.	-0.94
Solubility	14.4 mg/ml ; 0.116 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Very soluble
Log S (Ali)? Ali: Topological method implemented from Ali J. et al. 2012 J. Chem. Inf. Model.	-0.63
Solubility	29.3 mg/ml ; 0.236 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Very soluble
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	-1.45
Solubility	4.39 mg/ml ; 0.0354 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble

Pharmacokinetics

GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg	High
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg	No
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) and tested on 415 molecules (test set) 10-fold CV: ACC=0.72 / AUC=0.77 External: ACC=0.88 / AUC=0.94	No
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.83 / AUC=0.90 External: ACC=0.84 / AUC=0.91	No
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.80 / AUC=0.86 External: ACC=0.80 / AUC=0.87	No
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) and tested on 2075 molecules (test set) 10-fold CV: ACC=0.78 / AUC=0.85 External: ACC=0.71 / AUC=0.81	No
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) and tested on 1068 molecules (test set) 10-fold CV: ACC=0.79 / AUC=0.85 External: ACC=0.81 / AUC=0.87	No
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) and tested on 2579 molecules (test set) 10-fold CV: ACC=0.77 / AUC=0.85 External: ACC=0.78 / AUC=0.86	No
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from Potts RO and Guy RH. 1992 Pharm. Res.	-7.17 cm/s

Druglikeness

Lipinski? Lipinski (Pfizer) filter: implemented from Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev. MW ≤ 500 MLOGP ≤ 4.15 N or O ≤ 10 NH or OH ≤ 5	0.0
Ghose? Ghose filter: implemented from Ghose AK. et al. 1999 J. Comb. Chem. 160 ≤ MW ≤ 480 -0.4 ≤ WLOGP ≤ 5.6 40 ≤ MR ≤ 130 20 ≤ atoms ≤ 70	None
Veber? Veber (GSK) filter: implemented from Veber DF. et al. 2002 J. Med. Chem. Rotatable bonds ≤ 10 TPSA ≤ 140	0.0
Egan? Egan (Pharmacia) filter: implemented from Egan WJ. et al. 2000 J. Med. Chem. WLOGP ≤ 5.88 TPSA ≤ 131.6	0.0
Muegge? Muegge (Bayer) filter: implemented from Muegge I. et al. 2001 J. Med. Chem. 200 ≤ MW ≤ 600 -2 ≤ XLOGP ≤ 5 TPSA ≤ 150 Num. rings ≤ 7 Num. carbon > 4 Num. heteroatoms > 1 Num. rotatable bonds ≤ 15 H-bond acc. ≤ 10 H-bond don. ≤ 5	1.0
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat implemented from Martin YC. 2005 J. Med. Chem.	0.55

Medicinal Chemistry

PAINS? Pan Assay Interference Structures: implemented from Baell JB. & Holloway GA. 2010 J. Med. Chem.	0.0 alert
Brenk? Structural Alert: implemented from Brenk R. et al. 2008 ChemMedChem	0.0 alert: heavy_metal
Leadlikeness? Leadlikeness: implemented from Teague SJ. 1999 Angew. Chem. Int. Ed. 250 ≤ MW ≤ 350 XLOGP ≤ 3.5 Num. rotatable bonds ≤ 7	No; 1 violation:MW<1.0
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties, trained on 12'782'590 molecules and tested on 40 external molecules (r² = 0.94)	1.06

Application In Synthesis of [ 152398-05-5 ]

* 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.

Downstream synthetic route of [ 152398-05-5 ]

[ 152398-05-5 ] Synthesis Path-Downstream 1~29

1
[ 14208-83-4 ]
[ 152398-05-5 ]

References: [1]Australian Journal of Chemistry,1993,vol. 46,p. 987 - 993.

2
[ 152398-05-5 ]
[ 55279-29-3 ]

Yield	Reaction Conditions	Operation in experiment
85%	With manganese(IV) oxide; In chloroform; at 20℃; for 48h;	Step 3: [MN02] (29 g, 334 [MMOL)] was added, in one portion, at RT, to a suspension of <strong>[152398-05-5]3-amino-4-hydroxymethyl pyridine</strong> (5.0 g, 40.3 [MMOL)] in [CHC13] (500 ml) with good stirring. After 2 days, the solid was filtered through a pad of Celite and washed with [CHC13.] Removal of the solvent using reduced pressure yielded 4.2 g (85%) of a yellow solid.
85%	With manganese(IV) oxide; In chloroform; at 20℃; for 48h;	Manganese dioxide (29 gr.; 334 mmoles) was added, in one portion, at room temperature, to a suspension of <strong>[152398-05-5]3-amino-4-hydroxymethyl pyridine</strong> 290 (5.0 gr.; 40.3 mmoles) in 500 ml of chloroform with good stirring. After two days, the solid is filtered through a pad of Celite and washed with chloroform. Removal of the solvent using reduced pressure yielded 4.2 grams (85%) of Compound 291 as a yellow solid.
10.1 g	With manganese(IV) oxide; In chloroform; at 20℃; for 18h;	Reference Example 39-1 3-Aminopyridine-4-carboaldehyde A solution of (3-aminopyridin-4-yl)-methanol (10.4 g) and manganese dioxide (50.3 g) in chloroform (100 mL) was stirred at room temperature for 18 hours. The reaction solution was filtered through Celite and concentrated to give the title compound (10.1 g). LC-MS ([M+H]+/Rt (min)): 123.0/0.218

References: [1]Australian Journal of Chemistry,1993,vol. 46,p. 987 - 993.
[2]Patent: WO2004/831,2003,A1 .Location in patent: Page 23.
[3]Patent: WO2008/108957,2008,A2 .Location in patent: Page/Page column 96.
[4]Patent: EP3323809,2018,A1 .Location in patent: Paragraph 0221; 0222.

3
[ 100-52-7 ]
[ 152398-05-5 ]
2-phenyl-1,4-dihydro-2H-pyrido[3,4-d][1,3]oxazine [ No CAS ]

References: [1]Bioorganic and medicinal chemistry letters,2002,vol. 12,p. 3573 - 3577.

4
[ 152398-05-5 ]
(3-benzylamino-pyridin-4-yl)-methanol [ No CAS ]

References: [1]Bioorganic and medicinal chemistry letters,2002,vol. 12,p. 3573 - 3577.

5
[ 4664-01-1 ]
[ 152398-05-5 ]

References: [1]Australian Journal of Chemistry,1993,vol. 46,p. 987 - 993.
[2]Patent: WO2008/108957,2008,A2 .

6
[ 7579-20-6 ]
[ 152398-05-5 ]

Yield	Reaction Conditions	Operation in experiment
72%	With lithium aluminium tetrahydride; In tetrahydrofuran; at 20℃; for 48h;	Step 2: Solid compound 61 (9.5 g, 69 [MMOL)] was carefully added in 3 aliquots to a slurry of LiAIH4 (9.5 g, 250 [MMOL)] in dry THF (200 [ML).] The resulting hot mixture was stirred at RT for 2 days. After cooling in an ice bath, the reaction was quenched with careful sequential dropwise addition of water (10 [ML),] followed by 15percent aqueous [NAOH] (10 [ML),] then by water (30 [ML).] The resulting solid was filtered through a pad of Celite and washed several times with THF. The oil obtained after evaporation of the solvent solidified on standing. The reaction mixture was purified by flash chromatography on silica gel using 5percent CH30H (NH3) /EtOAc as eluent, yielding 6.21 g (72percent) of 62. LC-MS: m/z = 125 (M+1).
72%		Solid Compound 289 (9.5 gr.; 69 mmoles) was carefully added in three aliquots to a slurry of lithium aluminum hydride (9.5 gr.; 250 mmoles) in 200 ml of dry tetrahydrofuran. The resulting hot mixture was stirred at room temperature for two days. After cooling in an ice bath, the reaction was quenched with very careful sequential dropwise addition of 10 ml of water, followed by 10 ml of 15percent aqueous NaOH, then by 30 ml of water. The resulting solid was filtered through a pad of Celite and washed several times with THF. The oil obtained after evaporation of the solvent, solidified on standing. The reaction mixture was purified by flash chromatography on silica gel using 5percentMeOH(NH3)/EtOAc as eluent yielding 6.21 (72percent) of Compound 290 . LC-MS: m/z = 125 (M+l).
		3- Aminoisonicotinic acid (1 g, 7.24 mmol) was carefully added in 3 aliquots to a slurry of UAIH4 (0.99 g, 26.1 mmol) in dry tetrahydrofuran (40 ml). The resulting mixture was stirred at 15°C overnight. After cooling in an ice bath, the reaction mixture was quenched with careful addition of water (1 ml) dropwise, followed by 15percent aqueous NaOH (1 ml), and then water (3 ml). The resulting solid was filtered, and washed several times with tetrahydrofuran. The filtrate was concentrated to give oil, which was purified by flash chromatography on silica gel using 5percent CH3OH <NH3) /ethyl acetate as eluent to yield the title compound as a yellow oil. 610 mg.MS (electrospray): m/z [M+H]+ = 125

References: [1]Patent: WO2004/831,2003,A1 .Location in patent: Page 22.
[2]Patent: WO2008/108957,2008,A2 .Location in patent: Page/Page column 95.
[3]Australian Journal of Chemistry,1993,vol. 46,p. 987 - 993.
[4]Patent: WO2011/38572,2011,A1 .Location in patent: Page/Page column 71; 72.

7
[ 152398-05-5 ]
[ 152398-09-9 ]

References: [1]Australian Journal of Chemistry,1993,vol. 46,p. 987 - 993.

8
[ 152398-05-5 ]
[ 152398-11-3 ]

References: [1]Australian Journal of Chemistry,1993,vol. 46,p. 987 - 993.

9
[ 152398-05-5 ]
[ 152398-08-8 ]

References: [1]Australian Journal of Chemistry,1993,vol. 46,p. 987 - 993.

10
[ 152398-05-5 ]
[ 152398-14-6 ]

References: [1]Australian Journal of Chemistry,1993,vol. 46,p. 987 - 993.

11
[ 152398-05-5 ]
[ 152398-12-4 ]

References: [1]Australian Journal of Chemistry,1993,vol. 46,p. 987 - 993.

12
[ 152398-05-5 ]
9-methyl-6-nitrobenzo<1,7>naphthyridine [ No CAS ]

References: [1]Australian Journal of Chemistry,1993,vol. 46,p. 987 - 993.

13
[ 4664-01-1 ]
MeOH (NH₃) [ No CAS ]
[ 152398-05-5 ]

Yield	Reaction Conditions	Operation in experiment
	With bromine; In tetrahydrofuran; methanol; sodium hydroxide; water; acetic acid;	EXAMPLE 29 3,4 Pyridine-dicarboximide 288 (10.0 g; 67.5 mmoles) was dissolved in 162 g. of 10% aqueous NaOH and the solution was cooled to an internal temperature of 7 C. in an ice-salt bath. Bromine (3.6 ml; 70 mmoles) was added dropwise. After the addition, the solution was heated for 45 minutes at a bath temperature of 80-85 C. The yellow solution was then cooled to an internal temperature of 37 C., then 17 ml of glacial acetic acid were added dropwise to a pH of 5.5. The resulting mixture was saved overnight in a refrigerator. The solid formed was filtered and washed with 5 ml of water and 5 ml of methanol. The reaction yielded 6.35 g. of product 289 melting at 280-285 C. (decomp.). Solid Compound 289 (9.5 gr.; 69 mmoles) was carefully added in three aliquots to a slurry of lithium aluminum hydride (9.5 gr.; 250 mmoles) in 200 ml of dry tetrahydrofuran. The resulting hot mixture was stirred at room temperature for two days. After cooling in an ice bath, the reaction was quenched with very careful sequential dropwise addition of 10 ml of water, followed by 10 ml of 15% aqueous NaOH, then by 30 ml of water. The resulting solid was filtered through a pad of Celite and washed several times with THF. The oil obtained after evaporation of the solvent, solidified on standing. The reaction mixture was purified by flash chromatography on silica gel using 5%MeOH(NH3)/EtOAc as eluent yielding 6.21 (72%) of Compound 290. LC-MS: m/z=125 (M+1).

References: [1]Patent: US2003/45519,2003,A1 .

14
[ 1028331-11-4 ]
[ 152398-05-5 ]
[ 1046489-06-8 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2008,vol. 18,p. 3852 - 3855.

15
[ 1237517-77-9 ]
[ 152398-05-5 ]
[ 1285514-32-0 ]

Yield	Reaction Conditions	Operation in experiment
	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In N,N-dimethyl-formamide; at 15℃;	Neat <strong>[152398-05-5](3-aminopyridin-4-yl)methanol</strong> (may be prepared as described in Description 81 ; 103 mg, 0.83 mmol) was added in one charge to a stirred suspension of 2- [(phenylmethyl)oxy]-5-(4-pyridiny.)benzoic acid (may be prepared as described in Description 79; 180 mg, 0.59 mmol), EDC (226 mg, 1.18 mmol), HOBT (181 mg, 1.179 mmol) and triethylamine (0.16 ml, 1 .18 mmol) in N,N-dimethylformamide (1.5 ml) in air at 15 C. The reaction mixture was stirred at 15 C overnight. 100 ml of water was added. The solid was filtered, and then purified by prep-HPLC (instrument: Giison-281 .Column: Shimadzu 5um: 25020mm2, Mobile Phase : A: 10mMol/LNH4HCO3, B: CH3CN, Flow rate: 30.0ml/L, Gradient: B: 43-55% in 0-7.2 RT= 7.5min, 0.5) to yield the title compound as a white solid. 57 mg.1H NMR (400MHz, DMSO-cf6): 10.29 (s, 1 H), 8.90-8.92 (m, 2H), 8.62-8.63 (m, 2H), 8.39-8.40 (m, 1 H), 8.24-8.25 (m, 1 H), 7.96-7.99 (m, 1 H), 7.73-7.75 (m, 2H), 7.53-7.55 (m, 2H), 7.47-7.48 (m, 1 H), 7.33-7.42 (m, 4H), 5.56 (t, 1 H, J=5.2), 5,46 (s, 2H), 4.53 (d, 2H, J=5.2).MS (electrospray): m/z [M+H]+ = 412.0

References: [1]Patent: WO2011/38572,2011,A1 .Location in patent: Page/Page column 123; 124.

17
[ 341-92-4 ]
[ 152398-05-5 ]
[ 1220627-10-0 ]
[ 1220627-14-4 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydride; In tetrahydrofuran;	Intermediate C: 1-(4-((3-Aminopyridin-4-yl)methoxy)naphthalen-1-yl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea To a solution of <strong>[152398-05-5](3-amino-pyridin-4-yl)-methanol</strong> (13) (4.00 g, 32.2 mmol) in anhydrous THF (160 mL) at 0 C. was added sodium hydride (1.55 g, 38.7 mmol, 60 wt %). After stirring for 20 min, 1-fluoro-4-nitronaphthalene (14) (6.16 g, 32.2 mmol) was added, the ice bath was removed and the reaction mixture left to warm to RT and stirred for 12 hr. The reaction mixture was partitioned between EtOAc (200 mL) and saturated aq NaHCO3 solution (150 mL). The remaining yellow solid was collected by filtration and washed sequentially with water (50 mL), MeOH (50 mL) and diethyl ether (100 mL) and was identified as the desired product by LC-MS and 1H NMR. The filtrate was returned to a separating funnel; the organic phase was collected and washed with brine (100 mL), dried and concentrated in vacuo to afford an orange residue. Trituration of the orange residue with MeOH (200 mL) afforded an orange solid which was washed with diethyl ether (200 mL). LC-MS and 1H NMR analysis of the orange solid was identical to that observed for the insoluble solid obtained earlier. The two products were combined to afford 4-((4-nitronaphthalen-1-yloxy)methyl)pyridin-3-amine (15) (7.80 g, 77%): m/z 296 (M+H)+ (ES+).

References: [1]Patent: US2012/244120,2012,A1 .

18
[ 152398-05-5 ]
[ 1220627-11-1 ]

References: [1]Patent: US2012/244120,2012,A1 .
[2]Patent: US2016/45512,2016,A1 .

19
[ 152398-05-5 ]
[ 1220627-12-2 ]

References: [1]Patent: US2012/244120,2012,A1 .
[2]Patent: US2016/45512,2016,A1 .

20
[ 152398-05-5 ]
[ 1220627-13-3 ]

References: [1]Patent: US2012/244120,2012,A1 .
[2]Patent: US2016/45512,2016,A1 .

21
[ 152398-05-5 ]
[ 1220627-14-4 ]

References: [1]Patent: US2016/45512,2016,A1 .

22
[ 152398-05-5 ]
1-(4-((3-(3-methylureido)pyridin-4-yl)methoxy)naphthalen-1-yl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea [ No CAS ]

References: [1]Patent: US2016/45512,2016,A1 .

23
[ 152398-05-5 ]
[ 1220626-97-0 ]

References: [1]Patent: US2016/45512,2016,A1 .

24
[ 152398-05-5 ]
[ 1220626-98-1 ]

References: [1]Patent: US2016/45512,2016,A1 .

25
[ 341-92-4 ]
[ 152398-05-5 ]
[ 1220627-10-0 ]

Yield	Reaction Conditions	Operation in experiment
77%		To a solution of <strong>[152398-05-5](3-amino-pyridin-4-yl)-methanol</strong> (13) (4.00 g, 32.2 mmol) in anhydrous THF (160 mL) at 0 C. was added sodium hydride (1.55 g, 38.7 mmol, 60 wt %). After stirring for 20 min, 1-fluoro-4-nitronaphthalene (14) (6.16 g, 32.2 mmol) was added, the ice bath was removed and the reaction mixture left to warm to RT and stirred for 12 hr. The reaction mixture was partitioned between EtOAc (200 mL) and saturated aq NaHCO3 solution (150 mL). The remaining yellow solid was collected by filtration and washed sequentially with water (50 mL), MeOH (50 mL) and diethyl ether (100 mL) and was identified as the desired product by LC-MS and 1H NMR. The filtrate was returned to a separating funnel; the organic phase was collected and washed with brine (100 mL), dried and concentrated in vacuo to afford an orange residue Trituration of the orange residue with MeOH (200 mL) afforded an orange solid which was washed with diethyl ether (200 mL). LC-MS and 1H NMR analysis of the orange solid was identical to that observed for the insoluble solid obtained earlier. The two products were combined to afford 4-((4-nitronaphthalen-1-yloxy)methyl)pyridin-3-amine (15) (7.80 g, 77%): m/z 296 (M+H)+ (ES+).

References: [1]Patent: US2016/45512,2016,A1 .Location in patent: Paragraph 0477; 0478; 0479.

26
[ 152398-05-5 ]
[ 416852-78-3 ]

References: [1]Patent: WO2008/108957,2008,A2 .

27
[ 152398-05-5 ]
[ 416852-90-9 ]

References: [1]Patent: WO2008/108957,2008,A2 .

28
[ 152398-05-5 ]
[ 416852-79-4 ]

References: [1]Patent: WO2008/108957,2008,A2 .

29
[ 152398-05-5 ]
[ 416850-69-6 ]

References: [1]Patent: WO2008/108957,2008,A2 .

Historical Records

Technical Information

• Appel Reaction • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chan-Lam Coupling Reaction • Chugaev Reaction • Corey-Kim Oxidation • Dess-Martin Oxidation • Hydride Reductions • Jones Oxidation • Leuckart-Wallach Reaction • Mannich Reaction • Martin's Sulfurane Dehydrating Reagent • Mitsunobu Reaction • Moffatt Oxidation • Oxidation of Alcohols by DMSO • Petasis Reaction • Preparation of Alcohols • Preparation of Amines • Reactions of Alcohols • Reactions of Amines • Reactions with Organometallic Reagents • Ritter Reaction • Sharpless Olefin Synthesis • Specialized Acylation Reagents-Vilsmeier Reagent • Swern Oxidation • Ugi Reaction

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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

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

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CAS No.: 152398-05-5

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CAS No.: 152398-05-5

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