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Home> Hot Product Listed 1   > 1,2,4-TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE, 6-(2-BROMOPHENYL)-
17252-77-6 structure

1,2,4-TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE, 6-(2-BROMOPHENYL)-

Iupac Name:1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecadeuteriooctane
CAS No.:17252-77-6
Molecular Weight:132.339432
Molecular Formula:C11H7BRN2O2 (isomer)
Names and Identifiers
Synonyms

1,2,4-triazolo[3,4-b][1,3,4]thiadiazole,6- - 6-(2-bromophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-(2-BROMOPHENYL)-1,2,4-TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE AKOS000296463 AMBCB9007281 BB 0244923 MOLPORT-002-101-125 STK289385 ZINC4867909

Inchi
InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2
InChkey
TVMXDCGIABBOFY-VAZJTQEUSA-N
Canonical Smiles
CCCCCCCC
Isomers Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(
[2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Properties
Melting Point
-57°C
Boiling Point
272.562°C at 760 mmHg
Vapour
14.2mmHg at 25°C
Refractive Index
n20/D 1.394(lit.)
HS Code
28459000
Safety and Handling
Risk Statements
R11;R38;R50/53;R65
Safety Statements
S16;S29;S33;S60;S61;S62;S9
HazardClass
3
PackingGroup
II
Transport
UN 1262 3/PG 2
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Aspiration hazard, Category 1

Skin irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H304 May be fatal if swallowed and enters airways

H315 Causes skin irritation

H336 May cause drowsiness or dizziness

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P264 Wash ... thoroughly after handling.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P273 Avoid release to the environment.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P331 Do NOT induce vomiting.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P391 Collect spillage.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:132.339432g/mol
  • Molecular Formula:C11H7BRN2O2
  • XLogP3-AA:3.9
  • Exact Mass:132.253832
  • Monoisotopic Mass:132.253832
  • Complexity:25
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:8
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:18
  • Covalently-Bonded Unit Count:1
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