ChemicalBook--->CAS DataBase List--->56610-81-2

56610-81-2

56610-81-2 Structure

56610-81-2 Structure
IdentificationMore
[Name]

2-(5-Mercaptotetrazole-1-yl)ethanol
[CAS]

56610-81-2
[Synonyms]

1-(2-HYDROXYETHYL)-5-MERCAPTO-1,2,3,4-TETRAZOLE
1-HYDROXY-5-MERCAPTO-1H-TETRAZOLE
1-HYDROXYETHYL-1H-TETRAZOLE-5-THIOL
1-HYDROXYETHYL-5-MERCAPTO-1H-TETRAZOLE
2-(5-MERCAPTO-TETRAZOL-1-YL)-ETHANOL
2-(5-MERCAPTOTETRAZOLE-1-YL)ETHANOL
5-BENZYLMERCAPTO-1H-TETRAZOLE
5-BENZYLMERCAPTOTETRAZOLE
5-BENZYLTHIO-1H-TETRAZOLE
5-[(PHENYLMETHYL)THIO]-1H-TETRAZOLE
BETA-(5-MERCAPTO-1H-TETRAZOLE-1)-ETHANOL
BETA-(5-MERCAPTO-1H-TETRAZOLE)-ETHANOL
BMT
BTT
1-(2-Hydroxyethyl)-1H-tetrazole-5-thiol
1-(2-Hydroxyethyl)-5-Mercapto-Tetrazole
MTE
1-(2-Hydroxymethyl)-5-mercapto-1H-tetrazole
β-(5-MERCAPTO-1H-TETRAZOLE–1)-ETHANOL
alpha-(5-mercapto-1H-tetrazole-1-ethanol
[EINECS(EC#)]

611-405-2
[Molecular Formula]

C3H6N4OS
[MDL Number]

MFCD00068731
[Molecular Weight]

146.17
[MOL File]

56610-81-2.mol
Chemical PropertiesBack Directory
[Melting point ]

132-138°C
[Boiling point ]

221.4±42.0 °C(Predicted)
[density ]

1.76±0.1 g/cm3(Predicted)
[refractive index ]

n20/D 1.354
[Fp ]

2 °C
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

14.20±0.10(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C3H6N4OS/c8-2-1-7-3(9)4-5-6-7/h8H,1-2H2,(H,4,6,9)
[InChIKey]

YKYUEQRWYGVUKB-UHFFFAOYSA-N
[SMILES]

N1(CCO)C(=S)N=NN1
[CAS DataBase Reference]

56610-81-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H315-H319-H228
[Precautionary statements ]

P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
[Hazard Codes ]

F,Xn,Xi,T
[Risk Statements ]

R11:Highly Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36:Irritating to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 1648 3/PG 2
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

2933998090
Hazard InformationBack Directory
[Chemical Properties]

White crystalline
[Uses]

2-(5-Mercaptotetrazole-1-yl)ethanolis a mercaptotetrazole derivative used as an intermediate in the preparation of beta-lactam antibiotic Flomoxef (F401850) as well one of its metabolite. 2-(5-Mercapt otetrazole-1-yl)ethanol also shows vitamin K-dependent glutamylcarboxylase inhibitory activity.
[Uses]

2-(5-Mercaptotetrazole-1-yl)ethanolis a mercaptotetrazole derivative used as an intermediate in the preparation of beta-lactam antibiotic Flomoxef (F401850) as well one of its metabolite. 2-(5-Mercaptotetrazole-1-yl)ethanol also shows vitamin K-dependent glutamylcarboxylase inhibitory activity.
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