Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Carbonate  /  Food Additives  /  Other Inorganic Salts  /  Other Inorganic Chemicals  /  Pharmaceutical Intermediates
T6479709 structure
T6479709 structure

T6479709

Iupac Name:azanium;hydrogen carbonate
CAS No.: 1066-33-7
Molecular Weight:79.0553
Modify Date.: 2022-03-09 08:22
1. Names and Identifiers
1.1 Name
T6479709
1.2 Synonyms

3-methyl-5-[1-({5-phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)ethyl]-1,2,4-oxadiazole MCULE-3466197913 MOLPORT-009-476-188 Z275543822

1.3 CAS No.
1066-33-7
1.4 CID
14013
1.5 Molecular Formula
C9H11NO (isomer)
1.6 Inchi
InChI=1S/CH2O3.H3N/c2-1(3)4;/h(H2,2,3,4);1H3
1.7 InChkey
ATRRKUHOCOJYRX-UHFFFAOYSA-N
1.8 Canonical Smiles
C(=O)(O)[O-].[NH4+]
1.9 Isomers Smiles
C(=O)(O)[O-].[NH4+]
2. Properties
3.1 Melting point
105 °C
3.1 Refractive index
INDEX OF REFRACTION: 1.423, 1.536, 1.555
3.1 Vapour pressure
2.58E-05mmHg at 25°C
3.1 Precise Quality
79.02690
3.1 PSA
60.77000
3.1 logP
0.54630
3. Safety and Handling
4.1 Symbol
GHS07;
4.1 Signal Word
Warning
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S22
4.1 Packing Group
Z01
4.1 Hazard Class
6.1
4.1 Hazard Declaration
H302
4.1 RIDADR
UN 9081
4.1 Caution Statement
P301 + P312 + P330
4.1 WGK Germany
1
4.1 RTECS
BO8600000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight: 79.0553g/mol
  • Molecular Formula: C9H11NO
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 79.026943022
  • Monoisotopic Mass: 79.026943022
  • Complexity: 24.8
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 61.4
  • Heavy Atom Count: 5
  • 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: 2
  • CACTVS Substructure Key Fingerprint: AAADcYACMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAQCAAAAAAAAAAACAAAAgAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Question & Answer
7. Recommended Suppliers
Global556SuppliersView all >>
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-156-33831222
  • Email:xing@yan-xi.com
Professional Supplier Ammonium Bicarbonate 1066-33-7
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/08/19
Inquire
  • Products:Organic intermediates, Organic solvents,Cosmetic raw materials ...
  • Tel:00-86-18034554576
  • Email:Julia@hbzebo.com
High Purity Ammonium Bicarbonate CAS Number 1066-33-7
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kg
  • Time: 2022/08/19
Inquire
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
Ammonium Bicarbonate/factory price directly
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/08/18
Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Pharma/ food/ industial grade Ammonium bicarbonate CAS 1066-33-7 with best price
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 600 USD/metric ton
  • Time: 2022/08/17
Inquire
  • Products:biotechnology pharmaceutical intermediates biotechnology medical intermediates
  • Tel:0086-0310-15343106358
  • Email:guide@cnyouze.com
Ammonium Bicarbonate CAS 1066-33-7 Ammonium hydrogen carbonate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 8 USD/kg
  • Time: 2022/08/16
Inquire