CAS No.15454-54-3,5-AMINOTETRAZOLE MONOHYDRATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	15454-54-3
Name:	5-AMINOTETRAZOLE MONOHYDRATE

Formula:	CH₃N₅^.H₂O
Molecular Weight:	103.084
Synonyms:	5-Aminotetrazolemonohydrate;1H-Tetrazole, 5-amino-, monohydrate (8CI);1H-Tetrazol-5-amine,monohydrate (9CI);
EINECS:	224-581-7
Melting Point:	198204°Cdec.
Boiling Point:	488.8 °C at 760 mmHg
Flash Point:	249.4 °C
Solubility:	Soluble in water, ethanol (1.36%).
Hazard Symbols:	Xn, Xi
Risk Codes:	22-36/37/38
Safety:	26
PSA:	89.71000
LogP:	-0.70120

Synthetic route

: 75704-60-8
1,5-dihydro-1,5-dioxo-4-methyl-1-benzopyrano[3,4-b]pyridine-2-carboxylic acid

: 75704-66-4
1,5-dihydro-1,5-dioxo-N-1H-tetrazol-5-yl-4H-[1]benzopyrano[3,4-b]pyridine-2-carboxamide

: 15454-54-3
5-amino-1H-tetrazole monohydrate

: 530-62-1
1,1'-carbonyldiimidazole

: 75704-67-5
1,5-dihydro-4-methyl-1,5-dioxo-N-1H-tetrazol-5-yl-4H-[1]benzopyrano[3,4-b]pyridine-2-carboxamide

Conditions

Conditions	Yield
In N-methyl-acetamide	95%

...Expand

: 15454-54-3
5-amino-1H-tetrazole monohydrate

: 1694-92-4
2-Nitrobenzenesulfonyl chloride

: 115172-67-3
<(2-nitrophenyl)sulfonyl>carbamimidic azide

Conditions

Conditions	Yield
In tetrahydrofuran; water	76%

: 59117-83-8
2-(ethoxymethylene)-1H-indene-1,3(2H)-dione

: 15454-54-3
5-amino-1H-tetrazole monohydrate

: 130749-17-6
2-<(1H-tetrazol-5-ylamino)methylene>-1,3-indandione

Conditions

Conditions	Yield
With acetic acid In ethanol for 1h; Heating;	75%

: 15454-54-3
5-amino-1H-tetrazole monohydrate

: 98-09-9
benzenesulfonyl chloride

: 2-(phenylsulfonyl)carbamimidic azide

Conditions

Conditions	Yield
In tetrahydrofuran; water 1.) reflux, 30 min.; 2.) room temp., 15 h.;	73%

: 15454-54-3
5-amino-1H-tetrazole monohydrate

: 1133-72-8
2-acetyl-indan-1,3-dione

: 130749-12-1
10-Methyl-1,2,3,4,10a-pentaaza-cyclopenta[b]fluoren-9-one

Conditions

Conditions	Yield
With acetic acid In ethanol for 48h; Heating;	63%

: 3-methoxy-1-(phenylmethyl)-1H-indole-2-carboxylic acid

: 15454-54-3
5-amino-1H-tetrazole monohydrate

: 530-62-1
1,1'-carbonyldiimidazole

: 3-Methoxy-1-(phenylmethyl)-N-1H-tetrazol-5-yl-1H-indole-2-carboxamide

Conditions

Conditions	Yield
In N,N-dimethyl-formamide	63%

...Expand

: 50-00-0
formaldehyd

: 15454-54-3
5-amino-1H-tetrazole monohydrate

: 141-78-6
ethyl acetate

: ethyl 5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

Conditions

Conditions	Yield
With acetic acid In ethanol; water at 120℃; for 0.166667h; Microwave irradiation;	62%

...Expand

: 15454-54-3
5-amino-1H-tetrazole monohydrate

: 89224-55-5
3,7-dimethoxy-4-phenyl-4H-furo<3,2-b>indole-2-carboxylic acid

: 530-62-1
1,1'-carbonyldiimidazole

: 89224-56-6
3,7-dimethoxy-4-phenyl-N-(1H-tetrazol-5-yl)-4H-furo[3,2-b]indole-2-carboxamide

Conditions

Conditions	Yield
In N,N-dimethyl-formamide	61%

...Expand

: 15454-54-3
5-amino-1H-tetrazole monohydrate

: 2892-51-5
squaric acid

: 7646-85-7
zinc(II) chloride

: C5HN5O3(2-)*Zn(2+)*3H2O

Conditions

Conditions	Yield
In water for 24h; Autoclave;	61%

...Expand

: cobalt(II) chloride hexahydrate

: 15454-54-3
5-amino-1H-tetrazole monohydrate

: 2892-51-5
squaric acid

: C5HN5O3(2-)*3H2O*Co(2+)

Conditions

Conditions	Yield
In water for 24h; Autoclave;	57%

...Expand

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Specification

The 2H-Tetrazol-5-amine,hydrate is an organic compound with the formula CH₅N₅O. The IUPAC name of this chemical is 1H-Tetrazol-5-amine hydrate. With the CAS registry number 15454-54-3, it is also named as 5-Amino-1H-tetrazole monohydrate. Besides, it should be stored in a sealed, dry, well-ventilated, lightproof place.

Physical properties about 2H-Tetrazol-5-amine,hydrate are: (1)# of Rule of 5 Violations: 1; (2)ACD/LogD (pH 7.4): ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 5; (9)Polar Surface Area: 80.48 Å²; (10)Flash Point: 249.4 °C; (11)Enthalpy of Vaporization: 79.51 kJ/mol; (12)Boiling Point: 488.8 °C at 760 mmHg; (13)Vapour Pressure: 2.29E-10 mmHg at 25 °C.

Uses of 2H-Tetrazol-5-amine,hydrate: it can be used to produce 2-Azido-4-phenyl-indeno[1,2-d]pyrimidin-5-one. It will need reagent AcOH and solvent ethanol with reaction time of 2 days. This reaction needs heating. The yield is about 38%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/CH3N5.H2O/c2-1-3-5-6-4-1;/h(H3,2,3,4,5,6);1H2
(2)InChIKey: JVSMPWHQUPKRNV-UHFFFAOYAX
(3)Std. InChI: InChI=1S/CH3N5.H2O/c2-1-3-5-6-4-1;/h(H3,2,3,4,5,6);1H2
(4)Std. InChIKey: JVSMPWHQUPKRNV-UHFFFAOYSA-N