Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Feed Additives  /  Essential oils and others  /  Food Additives  /  Pharmaceutical Intermediates  /  Herbal Extract
Pirlindole-d4 structure
Pirlindole-d4 structure

Pirlindole-d4

CAS No.:8000-78-0
Molecular Weight:114.2086
1. Names and Identifiers
1.1 Name
Pirlindole-d4
1.2 CAS No.
8000-78-0
1.3 Molecular Formula
C9H12F3N3O7 (isomer)
1.4 Inchi
InChI=1S/C6H10OS2.C6H10S3.C6H12S2/c1-3-5-8-9(7)6-4-2;1-3-5-7-9-8-6-4-2;1-3-5-7-8-6-4-2/h2*3-4H,1-2,5-6H2;3H,1,4-6H2,2H3
1.5 InChkey
YHQUMZMLYHQYSW-UHFFFAOYSA-N
1.6 Canonical Smiles
CCCSSCC=C.C=CCSSSCC=C.C=CCSS(=O)CC=C
1.7 Isomers Smiles
CCCSSCC=C.C=CCSSSCC=C.C=CCSS(=O)CC=C
2. Properties
2.1 Density
1.302±0.06 g/cm3(Predicted)
2.1 Melting point
-85 deg C
2.1 Boiling point
779.9±60.0 °C(Predicted)
2.1 Refractive index
n20/D 1.575
2.1 Vapour pressure
less than 0.01 mm Hg at 68° F ; 9.8 mm Hg at 266° F (NTP, 1992)
2.1 Precise Quality
114.050323
2.1 PSA
0.00000
2.1 logP
0.00000
3. Safety and Handling
3.1 Symbol
GHS02, GHS07
3.1 Signal Word
Warning
3.1 Risk Statements
10-22
3.1 Safety Statements
16-36
3.1 Hazard Declaration
H226-H302
3.1 RIDADR
UN 1993 3/PG 3
3.1 WGK Germany
3
3.1 RTECS
LX3154800
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Skin sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H226 Flammable liquid and vapour

H302 Harmful if swallowed

H315 Causes skin irritation

H317 May cause an allergic skin reaction

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.

P270 Do not eat, drink or smoke when using this product.

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

P272 Contaminated work clothing should not be allowed out of the workplace.

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+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

Storage

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

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Other Information
5.0 Uses
Pirlindole d4 is an isotope labelled compound of Pirlindole (P509327). Pirlindole is a reversible inhibitor of monoamine oxidase A (RIMA) which was developed and is used in Russia as an antidepressant. It is structurally and pharmacologically related to metralindole.
6. Computational chemical data
  • Molecular Weight:114.2086g/mol
  • Molecular Formula:C9H12F3N3O7
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:488.04981385
  • Monoisotopic Mass:488.04981385
  • Complexity:243
  • Rotatable Bond Count:16
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:188
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
7. Recommended Suppliers
Global158SuppliersView all >>
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
High quality Garlic Oil CAS 8000-78-0 of Pharmaceutical grade and feed grade
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 40 USD/kilogram
  • Time: 2022/05/19
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Factory Supply Garlic oil CAS 8000-78-0
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/05
Inquire
  • Products:chemical raw materials, veterinary drug raw materials, animal and plant extracts, pharmaceutical excipients, pharmaceutical products, food additives
  • Tel:86-182-37818276
  • Email:hnkanbeichemical@126.com
Garlic oil blend
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/04/27
Inquire
  • Products:Chemical products, pharmaceutical intermediates, health food, fitness and muscle products research and development
  • Tel:86-00000-+8617065658228
  • Email:estella@ylbosstech.com
Factory Supply Garlic oil CAS 8000-78-0
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/01/20
Inquire
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Garlic oil
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/19
Inquire