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Home> Hot Product Listed 3   > 3-(3,5-dimethyl-1h-pyrazol-1-yl)-5-methyl-4h-1,2,4-triazol-4-amine
138526-69-9 structure

3-(3,5-dimethyl-1h-pyrazol-1-yl)-5-methyl-4h-1,2,4-triazol-4-amine

Iupac Name:5-bromo-1,2,3-trifluorobenzene
CAS No.:138526-69-9
Molecular Weight:210.981
Molecular Formula:C22H24O4 (isomer)
Names and Identifiers
Synonyms

26690P 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine hydrochloride AKOS000416142 CHEMBL1547632 F0897-0123 MCULE-6175949334 MLS000047886 MOLPORT-000-643-073 smr000033886

Inchi
InChI=1S/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChkey
HKJCELUUIFFSIN-UHFFFAOYSA-N
Canonical Smiles
C1=C(C=C(C(=C1F)F)F)Br
Properties
Melting Point
<-20 oC
Vapour
1.6mmHg at 25°C
Refractive Index
1.481-1.483
HS Code
29036990
Safety and Handling
Risk Statements
R10;R38;R40;R41;R51/53
Safety Statements
S23;S26;S36/37/39;S61
HazardClass
3
PackingGroup
III
Transport
UN 1993
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Skin irritation, Category 2

Serious eye damage, Category 1

Carcinogenicity, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H226 Flammable liquid and vapour

H315 Causes skin irritation

H318 Causes serious eye damage

H351 Suspected of causing cancer

H411 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.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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.

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.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P391 Collect spillage.

Storage

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

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:210.981g/mol
  • Molecular Formula:C22H24O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:3
  • Exact Mass:209.929
  • Monoisotopic Mass:209.929
  • Complexity:108
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcQBgAYAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGQBAAAABqACAEAgwAIAAAACA ACBCAAACAAAgAAQAiAAAAKgIICKAERCAIAAggAAIihcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:0086-0518-85686566
  • Fax:0086-0518-85686566
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-311-66600578
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