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Home CSC000008584

Structure Info


IUPAC name
4-amino-6-tert-butyl-3-(methylsulfanyl)-4,5-dihydro-1,2,4-triazin-5-one
CAS
21087-64-9
Chemspace id
CSC000008584
MFCD number
MFCD00055525
Mol formula
C8H14N4OS
Mol weight
214.29

Properties

Melting point, ℃
123.0
LogP
1.961
LogS
-1.7495
Heavy atoms count
14
Rotatable bond count
2.00
Hydrogen bond donors count
1.00
Hydrogen bond acceptors count
4.00
Number of rings
1
Carbon bond saturation, Fsp3
0.6250
Polar surface area (Å)
71.0500

Handling

GHS classification
H-codeHazard categoryHazard classH-statement
H302Category 4Acute toxicity, oralHarmful if swallowed
H331Category 3Acute toxicity, inhalationToxic if inhaled
H410Category 1Hazardous to the aquatic environment, chronic hazardVery toxic to aquatic life with long lasting effects
Signal word
Danger
Pictograms
GHS07GHS06GHS09
Precautionary measures
P-codeP-statement
P264Wash hands thoroughly after handling. Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P330Rinse mouth.
P501Dispose of contents/container in accordance with local/regional/national/international regulations.
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P271Use only outdoors or in a well-ventilated area.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P311Call a POISON CENTER or doctor/physician.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P273Avoid release to the environment.
P391Collect spillage.

Transportation

Tariff number (EU)
2933698013
IATA UN number
3077
IATA packing group
IATA Excepted quantity group
E1
IATA haz. class
9
IATA proper shipping name
Environmentally hazardous substance, solid, 4-amino-6-tert-butyl-3-(methylsulfanyl)-4,5-dihydro-1,2,4-triazin-5-one
  • 21087-64-9
  • 814915
  • ACM100067
  • ACM21087649
  • AGN-PC-0JKLDJ
  • ArZ-EA063733
  • Arz-EA068812
  • ArZ-IS000077
  • BB_SC-00084
  • BBV-38774996
  • C-36723
  • EN300-03840
  • FCH1316906
  • FT-0638091
  • H10483-10G
  • H10483-1G
  • H10483-5G
  • I504
  • J10805
  • M338920_10g
  • M338920_1g
  • M338920_250mg
  • M338920_2g
  • M338920_500mg
  • M338920_5g
  • PST0000113
  • Z56755860

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EN300-03840_0.1gEnamine Ltd Chemspace partner1 week100mg58
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EN300-03840_0.25gEnamine Ltd Chemspace partner1 week250mg59
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EN300-03840_0.5gEnamine Ltd Chemspace partner1 week500mg62
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EN300-03840_1gEnamine Ltd Chemspace partner2 day(s)1g64
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EN300-03840_2.5gEnamine Ltd Chemspace partner2 day(s)2.5g73
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EN300-03840_5gEnamine Ltd Chemspace partner2 day(s)5g82
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PST0000113_1gACC Corporation5 day(s)1g682
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J10805_100mgAK Scientific Inc.2 day(s)100mg28.6
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J10805_250mgAK Scientific Inc.2 day(s)250mg49.8
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I504_1gAK Scientific Inc.2 day(s)1g161
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95.00Asia & Pacific1900.19
814915_1gPure Chemistry Scientific Inc.10 day(s)1g200
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98.00USA & Canada2000.2
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95.00USA & Canada37.50.038
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Z56755860_1mgEnamine Ltd Chemspace partner90.001 week1mg55
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Europe5500055
Z56755860_2mgEnamine Ltd Chemspace partner90.001 week2mg56
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Z56755860_5mgEnamine Ltd Chemspace partner90.001 week5mg59
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Z56755860_10mgEnamine Ltd Chemspace partner90.001 week10mg78
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Z56755860_20mgEnamine Ltd Chemspace partner90.001 week20mg93
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