Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Benzene & Derivatives  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Syntheses Material Intermediates  /  Others
2(1H)-Pyrimidinone, 1-(trimethylsilyl)-4-[(trimethylsilyl)amino]- structure
2(1H)-Pyrimidinone, 1-(trimethylsilyl)-4-[(trimethylsilyl)amino]- structure

2(1H)-Pyrimidinone, 1-(trimethylsilyl)-4-[(trimethylsilyl)amino]-

Iupac Name:3-nitrobenzoic acid
CAS No.:121-92-6
Molecular Weight:167.1189
1. Names and Identifiers
1.1 Name
2(1H)-Pyrimidinone, 1-(trimethylsilyl)-4-[(trimethylsilyl)amino]-
1.2 Synonyms

1-(Trimethylsilyl)-4-[(trimethylsilyl)amino]pyrimidin-2(1H)-one 1-trimethylsilyl-4-(trimethylsilylamino)pyrimidin-2-one CTK1J4007 DTXSID30575736

1.3 CAS No.
121-92-6
1.4 CID
8497
1.5 Molecular Formula
C2H5N5O (isomer)
1.6 Inchi
InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
1.7 InChkey
AFPHTEQTJZKQAQ-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
1.9 Isomers Smiles
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
2. Properties
3.1 Melting point
140-142℃
3.1 Refractive index
1.6280 (estimate)
3.1 Vapour pressure
3.26E-05mmHg at 25°C
3.1 Precise Quality
167.02200
3.1 PSA
83.12000
3.1 logP
1.81620
3. Safety and Handling
4.1 Symbol
GHS07
4.1 Signal Word
Warning
4.1 Risk Statements
R33
4.1 Safety Statements
S24/25
4.1 Packing Group
Z01
4.1 Hazard Declaration
H302-H315-H319-H335-H412
4.1 RIDADR
25kgs
4.1 Caution Statement
P261-P273-P305 + P351 + P338
4.1 WGK Germany
3
4.1 RTECS
DH5000000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

P273 Avoid release to the environment.

Response

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

P330 Rinse mouth.

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

P337+P313 If eye irritation persists: Get medical advice/attention.

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:167.1189g/mol
  • Molecular Formula:C2H5N5O
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:167.02185764
  • Monoisotopic Mass:167.02185764
  • Complexity:198
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:83.1
  • Heavy Atom Count:12
  • 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
6. Recommended Suppliers
Global241SuppliersView all >>
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
3-Nitrobenzoic acid suppliers in ChinaCAS NO.: 121-92-6
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/24
Inquire
  • Products:high quality chemical raw materials, polymer functional modified materials, cosmetics production raw materials, new composite materials.
  • Tel:00-86-13283434511
  • Email:243531060@qq.com
Fast delivery 3-Nitrobenzoic acid 121-92-6
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/gram
  • Time: 2022/05/24
Inquire
  • Products:Organic intermediates, Organic solvents,Cosmetic raw materials ...
  • Tel:00-86-18034554576
  • Email:Julia@hbzebo.com
China Supplier Supply 3-Nitrobenzoic acid CAS Number 121-92-6
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kg
  • Time: 2022/05/24
Inquire
  • Products:Chemical products, pharmaceutical intermediates, health food, fitness and muscle products research and development
  • Tel:86-00000-+8617065657699
  • Email:iglesia@ylbosstech.com
Fast delivery 3-Nitrobenzoic acid 121-92-6
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.6 USD/gram
  • Time: 2022/01/20
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply 3-Nitrobenzoic Acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/kilogram
  • Time: 2022/02/09
Inquire