[ CAS No. 15894-70-9 ] {[proInfo.proName]}

Name: 15894-70-9|N,N'''-1,6-Hexanediylbis(N'-cyanoguanidine)|98%
Brand: Ambeed
SKU: A412115
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Quality Control of [ 15894-70-9 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 15894-70-9 ]

SDS Specification

Alternatived Products of [ 15894-70-9 ]

Product Details of [ 15894-70-9 ]

CAS No. :	15894-70-9	MDL No. :	MFCD00128128
Formula :	C₁₀H₁₈N₈	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YXZZOMVBHPCKMM-UHFFFAOYSA-N
M.W :	250.30	Pubchem ID :	85172
Synonyms :

Calculated chemistry of [ 15894-70-9 ]

Physicochemical Properties

Num. heavy atoms :	18
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.6
Num. rotatable bonds :	11
Num. H-bond acceptors :	4.0
Num. H-bond donors :	6.0
Molar Refractivity :	68.07
TPSA :	143.4 Å²

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.67 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.01
Log Po/w (XLOGP3) :	0.22
Log Po/w (WLOGP) :	-0.26
Log Po/w (MLOGP) :	-1.05
Log Po/w (SILICOS-IT) :	-0.61
Consensus Log Po/w :	0.06

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	2.0
Egan :	1.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.8
Solubility :	39.3 mg/ml ; 0.157 mol/l
Class :	Very soluble
Log S (Ali) :	-2.79
Solubility :	0.405 mg/ml ; 0.00162 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.88
Solubility :	0.33 mg/ml ; 0.00132 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	4.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.63

Safety of [ 15894-70-9 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302+H312+H332-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 15894-70-9 ]

* 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.

Downstream synthetic route of [ 15894-70-9 ]

[ 15894-70-9 ] Synthesis Path-Downstream 1~54

1
[ 89488-77-7 ]
[ 15894-70-9 ]
[ 102944-13-8 ]

Reference： [1]Journal of the Chemical Society,1956,p. 4422,4423

2
[ 90-52-8 ]
[ 15894-70-9 ]
[ 115294-20-7 ]

Reference： [1]Journal of the Chemical Society,1956,p. 4422,4423

3
[ 15894-70-9 ]
[ 3287-99-8 ]
5,5'-dibenzyl-1,1'-hexanediyl-bis-biguanide [ No CAS ]

Reference： [1]Patent: US2863919,1956,

4
[ 15894-70-9 ]
[ 6091-44-7 ]
[ 112090-45-6 ]

Reference： [1]Journal of the Chemical Society,1956,p. 4422,4423

5
[ 15894-70-9 ]
[ 4998-76-9 ]
[ 50765-39-4 ]

Reference： [1]Journal of the Chemical Society,1956,p. 4422,4423

6
[ 15894-70-9 ]
[ 141-85-5 ]
[ 111937-02-1 ]

Reference： [1]Journal of the Chemical Society,1956,p. 4422,4423

7
[ 15894-70-9 ]
[ 156-28-5 ]
[ 120176-57-0 ]

Reference： [1]Patent: US2863919,1956,

8
[ 15894-70-9 ]
[ 13426-94-3 ]
5,5'-dibenzyl-5,5'-dimethyl-1,1'-hexanediyl-bis-biguanide [ No CAS ]

Reference： [1]Patent: US2863919,1956,

9
[ 15894-70-9 ]
[ 26177-45-7 ]
[ 114398-73-1 ]

Reference： [1]Patent: US2863919,1956,

10
[ 15894-70-9 ]
[ 22669-27-8 ]
[ 65568-72-1 ]

Reference： [1]Journal of the Chemical Society,1956,p. 4422,4423

11
[ 15894-70-9 ]
[ 49552-34-3 ]
5,5'-bis-(3,4-dichloro-benzyl)-1,1'-hexanediyl-bis-biguanide [ No CAS ]

Reference： [1]Patent: US2863919,1956,

12
[ 15894-70-9 ]
[ 42365-58-2 ]
[ 123936-96-9 ]

Reference： [1]Patent: US2863919,1956,

13
[ 15894-70-9 ]
[ 73728-66-2 ]
[ 124106-36-1 ]

Reference： [1]Patent: US2863919,1956,

14
[ 15894-70-9 ]
[ 3139-70-6 ]
5,5'-bis-[2-(4-chloro-phenyl)-1-methyl-ethyl]-1,1'-hexanediyl-bis-biguanide; dihydrochloride [ No CAS ]

Reference： [1]Patent: US2863919,1956,

15
[ 15894-70-9 ]
[ 15572-56-2 ]
[ 107101-12-2 ]

Reference： [1]Journal of the Chemical Society,1956,p. 4422,4423

16
[ 15894-70-9 ]
[ 3858-78-4 ]
[ 108126-36-9 ]

Reference： [1]Journal of the Chemical Society,1956,p. 4422,4423

17
[ 15894-70-9 ]
[ 612-52-2 ]
5,5'-di-[2]naphthyl-1,1'-hexanediyl-bis-biguanide [ No CAS ]

Reference： [1]Journal of the Chemical Society,1956,p. 4422,4423

18
[ 15894-70-9 ]
[ 22680-44-0 ]
[ 115098-00-5 ]

Reference： [1]Patent: US2863919,1956,

19
[ 15894-70-9 ]
[ 645-58-9 ]
5,5'-bis-(4-methoxy-phenethyl)-1,1'-hexanediyl-bis-biguanide [ No CAS ]

Reference： [1]Patent: US2863919,1956,

20
[ 15894-70-9 ]
[ 33240-96-9 ]
5,5'-bis-(3-nitro-phenyl)-1,1'-hexanediyl-bis-biguanide; dihydrochloride [ No CAS ]

Reference： [1]Patent: US2684924,1952,

21
[ 15894-70-9 ]
[ 33240-95-8 ]
[ 114278-67-0 ]

Reference： [1]Journal of the Chemical Society,1956,p. 4422,4423

22
[ 15894-70-9 ]
[ 123-30-8 ]
5,5'-bis-(4-hydroxy-phenyl)-1,1'-hexanediyl-bis-biguanide [ No CAS ]

Reference： [1]Journal of the Chemical Society,1956,p. 4422,4423

23
[ 6055-52-3 ]
[ 1934-75-4 ]
[ 15894-70-9 ]

Yield	Reaction Conditions	Operation in experiment
80%	In butan-1-ol; for 8.0h;Reflux;	A solution of 3.78 g (20.0 mmol, 1 equiv) 1,6-hexamethylenediamine dihydrochloride and 3.56 g (40.0 mmol, 2 equiv) sodium dicyanamide in 28 mL n-butanol was heated to reflux for 8 h. After cooling to room temperature, the solid was filtered off and washed with butanol and cold water. Recrystallization from water afforded pure compound 3. Yield: 80%. Melting point: 195 C (Ref.: 202-203 C). 1 1H NMR (300 MHz, [D6]DMSO): delta = 1.23 (m, 4H), 1.39 (m, 4H), 3.02 (m, 4H), 6.63-6.83 (m, 6H) ppm; 13C NMR (100 MHz, [D6]DMSO): delta = 25.9, 28.9, 40.8, 118.4, 161.2 ppm; IR (KBr): = 3372 (s), 3159 (s), 2940 (s), 2940 (m), 2857 (m), 2172 (s), 1650 (s), 1625 (s), 1475 (m), 1439 (s), 1383 (m), 1322 (m), 1128 (m), 928 (w), 733 (w), 689 (w), 561 (m), 541 cm-1 (m); ESI-MS C10H18N8 calcd: 249.2 [M-H+], found: 249.3.
80%	In butan-1-ol; for 15.0h;Reflux;	A solution of 1,6-hexamethylenediamine dihydrochloride (3.78 g, 20.0 mmol) and sodium dicyanamide (3.56 g, 40.0 mmol) in n- butanol (28 mL) was heated to reflux for 15 h. After cooling to room temperature, the solid was filtered off and washed with butanol and cold water. Recrystallization from water afforded pure l,6-bis(N3-cyano-N1-guamdino)hexane (4 g, 80%). 1H NMR (DMSO-d6): delta 8.06 (brs, 2H, -NH), 6.91 (brs, 4H, -NH), 3.00 (t, 4H, JAB = 7.5 Hz, -CH2), 1.69-1.65 (m, 4H, -CH2), 1.42-1.41 (m, 4H, -CH2).

Reference： [1]Angewandte Chemie - International Edition,2013,vol. 52,p. 4487 - 4491
Angew. Chem.,2013,vol. 125,p. 4583 - 4588
[2]Bioorganic and Medicinal Chemistry,2013,vol. 21,p. 7357 - 7363
[3]Patent: WO2018/42367,2018,A2 .Location in patent: Page/Page column 80
[4]Journal of the Chemical Society,1956,p. 4422,4423
[5]Journal of Chemical Information and Modeling,2019

24
[ 15894-70-9 ]
[ 106-49-0 ]
[ 120907-23-5 ]

Reference： [1]Journal of the Chemical Society,1956,p. 4422,4423

25
[ 15894-70-9 ]
[ 104-94-9 ]
5,5'-bis-(4-methoxy-phenyl)-1,1'-hexanediyl-bis-biguanide [ No CAS ]

Reference： [1]Journal of the Chemical Society,1956,p. 4422,4423

26
[ 104-75-6 ]
[ 15894-70-9 ]
[ 22573-93-9 ]

Reference： [1]Journal of Medicinal Chemistry,1978,vol. 21,p. 828 - 829

27
[ 111-86-4 ]
[ 15894-70-9 ]
[ 109752-50-3 ]

Reference： [1]Journal of Medicinal Chemistry,1978,vol. 21,p. 828 - 829

28
[ 111-26-2 ]
[ 15894-70-9 ]
[ 109752-54-7 ]

Reference： [1]Journal of Medicinal Chemistry,1978,vol. 21,p. 828 - 829

29
[ 111-68-2 ]
[ 15894-70-9 ]
[ 68704-92-7 ]

Reference： [1]Journal of Medicinal Chemistry,1978,vol. 21,p. 828 - 829

30
[ 15894-70-9 ]
1-methyl-2-phenyl-ethylamine hydrochloride [ No CAS ]
5,5'-bis-(1-methyl-2-phenyl-ethyl)-1,1'-hexanediyl-bis-biguanide [ No CAS ]

Reference： [1]Patent: US2863919,1956,

31
[ 15894-70-9 ]
<1>naphthylamine hydrochloride [ No CAS ]
5,5'-di-[1]naphthyl-1,1'-hexanediyl-bis-biguanide [ No CAS ]

Reference： [1]Journal of the Chemical Society,1956,p. 4422,4423

32
[ 15894-70-9 ]
4-chloro-benzylamine hydrochloride [ No CAS ]
[ 39762-17-9 ]

Reference： [1]Patent: US2863919,1956,

33
[ 15894-70-9 ]
3-chloro-benzylamine hydrochloride [ No CAS ]
[ 115098-83-4 ]

Reference： [1]Patent: US2863919,1956,

34
[ 15894-70-9 ]
4-nitro-benzylamine hydrochloride [ No CAS ]
[ 113796-41-1 ]

Reference： [1]Patent: US2863919,1956,

35
[ 15894-70-9 ]
2,4,5-trichloro-benzylamine hydrochloride [ No CAS ]
[ 112551-47-0 ]

Reference： [1]Patent: US2863919,1956,

36
[ 15894-70-9 ]
[ 77642-45-6 ]
C₂₀H₄₆N₁₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
59.6%		The compound identified in the foregoing table as ?Compound Number 1?, the structure of which is shown above, was synthesized as follows: A mixture of 0.25 g (0.001 mol) of 1,6-dicyanoguanidinylhexane, 0.33 g (0.002 mol), of N,N-dimethylamino-N-propylamine 2 HCl. and 4 drops of N-methylpyrolidinone was reacted in a sealed vial at 158 C. for 5 hours. After cooling, the reaction mixture was dissolved in methanol and precipitated out with acetone. The residue was then deprotonated with diisopropylethylamine in ethanol and precipitated out with acetone to afford 0.300 g (56.9%) of an intermediate compound (referred to herein as ?Intermediate 1?).

Reference： [1]Patent: US2005/124700,2005,A1 .Location in patent: Page/Page column 3

37
N-(6-aminohexyl)-4-(6-aminohexylamino)-1,8-naphthalimide [ No CAS ]
[ 15894-70-9 ]
[ 6055-52-3 ]
PHMB [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With ammonium chloride; In water; at 160℃; for 2.0h;	Hexamethylenediamine dihydrochloride (1.48g; 8x10-3mol), 2% aqueous ammonium chloride solution (0.5ml), HMBDA (2g; 8x10-3mol) and Marker 1 (3.48x10-3g) were added to a boiling tube. The mixture was then heated.at 160C for 2 hours. The resulting product was then dissolved in water (4ml) to stop the co-polymerisation, and the temperature reduced to 70C. More water (4ml) and Celite filter aid (0.3g) were added. The mixture was filtered and the volume made up to 15mL to give the title product as a 20% aqueous solution.

Reference： [1]Patent: EP1213967,2004,B1 .Location in patent: Page 17

38
[ 646-24-2 ]
[ 15894-70-9 ]
poly(hexamethylenebiscyanoguanidine-alt-nonane) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; In water; at 135℃;	HEXAMETHYLENEBISCYANOGUANIDINE (3.99 mmoles, 1.00 g) and 1,9- diaminononane (3.99 mmoles, 0.623 g) were added to a 40 ml vial with a septa-cap followed by 2 equivalents of concentrated HCI. The mixture was heated to 135-145 C in a shaker overnight.

Reference： [1]Patent: WO2004/46109,2004,A2 .Location in patent: Page 48

39
[ 15894-70-9 ]
[ 4364-78-7 ]
poly(hexamethylenebiscyanoguanidine-alt-1,3-aminoguanidine) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; In water; at 165℃; for 3.0h;	Hexamethylene biscyano guanidine (4.00 mmoles, 1. 00 g) and 1,3- aminoguanidine (4.00 mmoles, 0.502 g) were added to a 40 ML vial with a septa-cap followed by 2 equivalents of concentrated HC1. The mixture was heated to 165 C in an oil-bath for 3 hours. An orange solid was obtained.

Reference： [1]Patent: WO2004/46109,2004,A2 .Location in patent: Page 49

40
[ 7300-34-7 ]
[ 15894-70-9 ]
poly(hexamethylenebiscyanoguanidine-alt-4,9-dioxadodecane) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; In water; at 135 - 145℃;	Hexamethylenebiscyanoguanidine (3.99 mmoles, 1.00 g) and 4, 9-dioxa- 1, 12-DODECANEDIAMINE (3.99 mmoles, 0.848 ml) were added to a 40 ml vial with a septa-cap followed by 2 equivalents of concentrated HCL. The mixture was heated to 135-145 C in a shaker overnight. A clear yellow, brittle solid was obtained.

Reference： [1]Patent: WO2004/46109,2004,A2 .Location in patent: Page 46

41
[ 15894-70-9 ]
poly(hexamethylenebiscyanoguanidine-alt-hydrazine) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; hydrazine; In water; at 165℃; for 3.0h;	Hexamethylene BISCYANO guanidine (4.00 mmoles, 1. 00 g) and hydrazine (4. 00 mmoles, 0.274 g) were added to a 40 mL vial with a septa-cap followed by 2 equivalents of concentrated HCI. The mixture was heated to 165 C in an oil-bath for 3 hours. A pink foam was obtained.

Reference： [1]Patent: WO2004/46109,2004,A2 .Location in patent: Page 48

42
[ 15894-70-9 ]
[ 20265-96-7 ]
[ 55-56-1 ]

Reference： [1]Angewandte Chemie - International Edition,2013,vol. 52,p. 4487 - 4491
Angew. Chem.,2013,vol. 125,p. 4583 - 4588

43
[ 15894-70-9 ]
[ 26392-49-4 ]
[ 22573-93-9 ]

Reference： [1]Angewandte Chemie - International Edition,2013,vol. 52,p. 4487 - 4491
Angew. Chem.,2013,vol. 125,p. 4583 - 4588

44
[ 15894-70-9 ]
[ 142-04-1 ]
5,5'-diphenyl-1,1'-hexanediyl-bis-biguanide [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2013,vol. 52,p. 4487 - 4491
Angew. Chem.,2013,vol. 125,p. 4583 - 4588
[2]Journal of Chemical Information and Modeling,2019

45
[ 15894-70-9 ]
[ 2146-07-8 ]
[ 53416-52-7 ]

Reference： [1]Angewandte Chemie - International Edition,2013,vol. 52,p. 4487 - 4491
Angew. Chem.,2013,vol. 125,p. 4583 - 4588

46
[ 15894-70-9 ]
[ 624-19-1 ]
[ 59470-54-1 ]

Reference： [1]Angewandte Chemie - International Edition,2013,vol. 52,p. 4487 - 4491
Angew. Chem.,2013,vol. 125,p. 4583 - 4588

47
[ 15894-70-9 ]
[ 74367-81-0 ]
C₂₂H₃₀I₂N₁₀ [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2013,vol. 52,p. 4487 - 4491
Angew. Chem.,2013,vol. 125,p. 4583 - 4588

48
[ 15894-70-9 ]
[ 142-81-4 ]
[ 109752-54-7 ]

Reference： [1]Angewandte Chemie - International Edition,2013,vol. 52,p. 4487 - 4491
Angew. Chem.,2013,vol. 125,p. 4583 - 4588

49
[ 15894-70-9 ]
[ 142-95-0 ]
[ 109752-50-3 ]

Reference： [1]Angewandte Chemie - International Edition,2013,vol. 52,p. 4487 - 4491
Angew. Chem.,2013,vol. 125,p. 4583 - 4588

50
[ 15894-70-9 ]
[ 3858-78-4 ]
C₁₈H₄₀N₁₀ [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2013,vol. 52,p. 4487 - 4491
Angew. Chem.,2013,vol. 125,p. 4583 - 4588

51
[ 15894-70-9 ]
[ 557-66-4 ]
C₁₄H₃₂N₁₀ [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2013,vol. 52,p. 4487 - 4491
Angew. Chem.,2013,vol. 125,p. 4583 - 4588

52
[ 15894-70-9 ]
[ 26392-49-4 ]
(R,R)-1,6-bis[5-(2-ethylhexyl)biguanido]hexane dihydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
48%	at 155℃; for 2.0h;	General procedure: 63.0 mg (0.25mmol, 1equiv) 1,6-di-(N3-cyano-N1-guanidino)hexane 3 and 82.9mg (0.5mmol, 2equiv) (S)-2-ethylhexylamine hydrochloride 2 (for synthesis of (S,S)-1) or (R)-2-ethylhexylamine hydrochloride (R)-2 (for synthesis of (R,R)-1) were thoroughly mixed and heated to 155C for 2h. After completion of the reaction, the crude product was recrystallized from ethanol-ether.

Reference： [1]Bioorganic and Medicinal Chemistry,2013,vol. 21,p. 7357 - 7363

53
[ 15894-70-9 ]
[ 26392-49-4 ]
(S,S)-1,6-bis[5-(2-ethylhexyl)biguanido]hexane dihydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
60%	at 155℃; for 2.0h;	General procedure: 63.0 mg (0.25mmol, 1equiv) 1,6-di-(N3-cyano-N1-guanidino)hexane 3 and 82.9mg (0.5mmol, 2equiv) (S)-2-ethylhexylamine hydrochloride 2 (for synthesis of (S,S)-1) or (R)-2-ethylhexylamine hydrochloride (R)-2 (for synthesis of (R,R)-1) were thoroughly mixed and heated to 155C for 2h. After completion of the reaction, the crude product was recrystallized from ethanol-ether.

Reference： [1]Bioorganic and Medicinal Chemistry,2013,vol. 21,p. 7357 - 7363

54
[ 15894-70-9 ]
[ 106-47-8 ]
[ 55-56-1 ]

Yield	Reaction Conditions	Operation in experiment
	at 95℃; for 6h;	Example 3 Add 11.6g (0.1mol) of hexamethylenediamine and 150.8g of n-butanol to the reaction vessel, and add 20.9g of 36% hydrochloric acid dropwise with stirring;Add 23.2g (0.261mol) of sodium dicyandiamide, 4.5g of triethylamine, and keep the reflux reaction at 115C for 4h; after the reaction is over, add 28g ofChloroaniline, 22.5g 36% hydrochloric acid was added dropwise stirring, 95C oil bath insulation for 6h; after the reaction is over, add 30g 30% liquid caustic soda for alkalization, coolAfter cooling, crystallization and filtration, the crude chlorhexidine base was obtained. The crude product obtained was washed with methanol, suction filtered, and dried to obtain 34 g of chlorhexidine base, with a yield68%, 99.7% content.

Reference： [1]Current Patent Assignee: SUZHOU JINGYE MEDICINE CHEMICAL - CN111302976, 2020, A Location in patent: Paragraph 0021

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Code	Phrase
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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. 15894-70-9 ] {[proInfo.proName]}

Quality Control of [ 15894-70-9 ]

Related Doc. of [ 15894-70-9 ]

Product Details of [ 15894-70-9 ]

Calculated chemistry of [ 15894-70-9 ]

Physicochemical Properties

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Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 15894-70-9 ]

Application In Synthesis of [ 15894-70-9 ]

[ 15894-70-9 ] Synthesis Path-Downstream 1~54

Related Functional Groups of [ 15894-70-9 ]

Aliphatic Chain Hydrocarbons

Amines

Related Parent Nucleus of [ 15894-70-9 ]

Guanidines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 15894-70-9 ]

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[ 15894-70-9 ]