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PEAKDALE1_000381 structure
PEAKDALE1_000381 structure

PEAKDALE1_000381

Iupac Name:(2,3-13C2)butanedioic acid
CAS No.:61128-08-3
Molecular Weight:120.11
1. Names and Identifiers
1.1 Name
PEAKDALE1_000381
1.2 Synonyms

1h-indol-6-yl-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone 6-{4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}-1h-indole AC1MUDPP AMBPE3000543 HMS519B07 KB-275037 piperazine,1-(1h-indol-6-ylcarbonyl)-4-[3-(trifluoromethyl)-2-pyridinyl]- ZINC25337762

1.3 CAS No.
61128-08-3
1.4 CID
12998490
1.5 Molecular Formula
C21H15NO4 (isomer)
1.6 Inchi
InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/i1+1,2+1
1.7 InChkey
KDYFGRWQOYBRFD-ZDOIIHCHSA-N
1.8 Canonical Smiles
C(CC(=O)O)C(=O)O
1.9 Isomers Smiles
[13CH2]([13CH2]C(=O)O)C(=O)O
2. 3D Conformer
3. Properties
3.1 Melting Point
187-190 °C(lit.)
3.2 Refractive Index
1.477
4. Safety and Handling
4.1 Risk Statements
36/37/38-41
4.2 Safety Statements
Hazard Codes XiRisk Statements 36/37/38-41Safety Statements 26-36WGK Germany 3
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Serious eye damage, Category 1

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H315 Causes skin irritation

H318 Causes serious eye damage

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

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

Response

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/…

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

P312 Call a POISON CENTER/doctor/…if you feel unwell.

Storage

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

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

7. Recommended Suppliers
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BUTANEDIOIC ACID-2,3-13C2
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
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BUTANEDIOIC ACID-2,3-13C2
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire