Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Organic Intermediate  /  Pharmaceutical Intermediates  /  Syntheses Material Intermediates  /  Other Chemicals  /  Organic Intermediates
Benzenamine, N-methyl-2,4-dinitro-N-phenyl- structure
Benzenamine, N-methyl-2,4-dinitro-N-phenyl- structure

Benzenamine, N-methyl-2,4-dinitro-N-phenyl-

Iupac Name:pyridin-4-ylboronic acid
CAS No.:1692-15-5
Molecular Weight:122.918
1. Names and Identifiers
1.1 Name
Benzenamine, N-methyl-2,4-dinitro-N-phenyl-
1.2 Synonyms

2,4-Dinitro-N,N-methylphenylamine 51226-44-9 AC1L6HY7 AC1Q20SO AKOS003439283 AMBSCLK-141 Benzenamine, N-methyl-2,4-dinitro-N-phenyl- CTK1H5091 Diphenylamine,N-methyl-2,4-dinitro- (6CI,7CI) DTXSID20295951 GRJOQWGGWXHXQQ-UHFFFAOYSA-N N-Methyl 2,4-dinitrodiphenylamine n-methyl-2,4-dinitrodiphenylamine n-methyl-2,4-dinitro-n-phenylaniline n-methyl-2,4-dinitro-n-phenylaniline # N-Methyl-N-phenyl-2,4-dinitroaniline NSC 106503 nsc106503 ZINC4822911

1.3 CAS No.
1692-15-5
1.4 CID
2734379
1.5 Molecular Formula
C19H20N4 (isomer)
1.6 Inchi
InChI=1S/C5H6BNO2/c8-6(9)5-1-3-7-4-2-5/h1-4,8-9H
1.7 InChkey
QLULGIRFKAWHOJ-UHFFFAOYSA-N
1.8 Canonical Smiles
B(C1=CC=NC=C1)(O)O
1.9 Isomers Smiles
B(C1=CC=NC=C1)(O)O
2. 3D Conformer
3. Properties
3.1 Density
1.3
3.2 Melting Point
>300℃
3.3 Boiling Point
239.9°Cat760mmHg
3.4 Vapour
6.52E-05mmHg at 25°C
4. Safety and Handling
4.1 Risk Statements
R22;R36/37/38
4.2 Safety Statements
S26;S36/37/39
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

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.

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

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

P312 Call a POISON CENTER/doctor/\u2026if 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

6. Computational chemical data
  • Molecular Weight:122.918g/mol
  • Molecular Formula:C19H20N4
  • Compound Is Canonicalized:True
  • Exact Mass:123.049
  • Monoisotopic Mass:123.049
  • Complexity:83
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:53.4A^2
  • Heavy Atom Count:9
  • 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: AAADcYJiMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAoHAAACAAACADBEgQ8gJIIEACg ADBnRACCgCAxAiAI2CA4ZJgIIGLAkZGEIAhggADIyAYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
8. Question & Answer
  • Organic boron compounds play an important role in organic chemistry, materials science and biochemistry, and can be used in organic synthesis such as hydride borylation of olefin and Suzuki coupling reaction. The B–OH group is generally stable under ambient conditions, but can also be easily ...
9. Recommended Suppliers
Global290SuppliersView all >>
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Boronicacid, B-4-pyridinyl-
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2021/01/29
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Pyridine-4-Boronic Acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/Kilogram
  • Time: 2021/03/09
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Pyridine-4-boronic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 2 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:Pharmaceutical, chemical technology research and development
  • Tel:086-0532-80960264
  • Email:derek@believechem.com
Pyridine-4-boronic acid CAS1692-15-5
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2021/03/09
Inquire
  • Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
  • Tel:86-571-85829152
  • Email:market@royalpharms.com
Boronicacid, B-4-pyridinyl-
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 100 USD/Kilogram
  • Time: 2019/12/06
Inquire