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14070-48-5

Basic Information
CAS No.: 14070-48-5
Name: N-[3-(5-Mercapto-1H-1,2,3,4-tetraazol-1-yl)phenyl]acetamide
Molecular Structure:
Molecular Structure of 14070-48-5 (N-[3-(5-Mercapto-1H-1,2,3,4-tetraazol-1-yl)phenyl]acetamide)
Formula: C9H9 N5 O S
Molecular Weight: 235.269
Synonyms: Acetanilide,3'-(5-mercapto-1H-tetrazol-1-yl)- (8CI);1-(3-Acetamidophenyl)-2-tetrazoline-5-thione;1-(3-Acetamidophenyl)-5-mercaptotetrazole;1-(m-Acetamidophenyl)-5-mercaptotetrazole; FOG 0901
EINECS: 237-924-0
Density: 1.51 g/cm3
Melting Point: 185-187 ºC
Boiling Point: °Cat760mmHg
Flash Point: °C
Appearance: white to light yellow powder
Hazard Symbols:
Risk Codes: R11;R20/21/22   
Safety: S16;S36/37
PSA: 111.50000
LogP: 0.98240
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  • N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]acetamide

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    N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]acetamide

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  • N-[3-(5-Mercapto-1H-1,2,3,4-tetraazol-1-yl)phenyl]acetamide

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    1-(3-Acetamidophenyl)tetrazole-5-thiol

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Chemistry

Product Name: N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)acetamide (CAS NO.14070-48-5)


Molecular Formula: C9H9N5OS
Molecular Weight: 235.27g/mol
Mol File: 14070-48-5.mol
EINECS: 237-924-0
Melting Point: 185-187°C
Density: 1.51 g/cm3
Surface Tension: 60.1 dyne/cm
XLogP3-AA: 2
H-Bond Donor: 2
H-Bond Acceptor: 3
Structure Descriptors of N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)acetamide (CAS NO.14070-48-5):
  IUPAC Name: N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]acetamide
  Canonical SMILES: CC(=O)NC1=CC=CC(=C1)N2C(=S)N=NN2
  InChI: InChI=1S/C9H9N5OS/c1-6(15)10-7-3-2-4-8(5-7)14-9(16)11-12-13-14/h2-5H,1H3,(H,10,15)(H,11,13,16) 
  InChIKey: SCWKACOBHZIKDI-UHFFFAOYSA-N

Safety Profile

Safety Information of N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)acetamide (CAS NO.14070-48-5):
Hazard Codes: XiIrritant,XnHarmful,FFlammable
Risk Statements: 11-20/21/22-36/37/38 
11:  Highly Flammable 
20:  Harmful by inhalation 
21:  Harmful in contact with skin 
22:  Harmful if swallowed 
36:  Irritating to the eyes 
37:  Irritating to the respiratory system 
38:  Irritating to the skin 
Safety Statements: 16-36/37-36-26
16:  Keep away from sources of ignition - No smoking
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:  Wear suitable protective clothing  
37:  Wear suitable gloves 
RIDADR: 1325
Hazard Note: Irritant/Stench

Specification

 N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)acetamide , its CAS NO. is 14070-48-5, the synonyms are EINECS 237-924-0 ; Acetamide, N-(3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)- .