Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Alcohol & Hydroxybenzene & Ether  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Organic Intermediates  /  Custom Manufacturing
Formamide,N-(4-amino-5-pyrimidinyl)- structure
Formamide,N-(4-amino-5-pyrimidinyl)- structure

Formamide,N-(4-amino-5-pyrimidinyl)-

Iupac Name:anisole
CAS No.:100-66-3
Molecular Weight:108.13782
1. Names and Identifiers
1.1 Name
Formamide,N-(4-amino-5-pyrimidinyl)-
1.2 Synonyms

16008-45-0 4-amino-5-formamidopyrimidine AK439184 AKOS006338195 formamide,n-(4-amino-pyrimidin-5-yl)- HE315587 KB-299241 n-(4-amino-5-pyrimidinyl)formamide n-(4-aminopyrimidin-5-yl)formamide ZINC104558074

1.3 CAS No.
100-66-3
1.4 CID
7519
1.5 Molecular Formula
C10H8N2O (isomer)
1.6 Inchi
InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
1.7 InChkey
RDOXTESZEPMUJZ-UHFFFAOYSA-N
1.8 Canonical Smiles
COC1=CC=CC=C1
1.9 Isomers Smiles
COC1=CC=CC=C1
2. Properties
3.1 Melting Point
-37℃
3.2 Vapour
4.24mmHg at 25°C
3.3 Refractive Index
1.516-1.519
3. Safety and Handling
4.1 Risk Statements
R10;R20;R38
4.2 Safety Statements
S16;S26;S37/39
4.3 HazardClass
3
4.3 Hazard Note
H226
4.4 PackingGroup
III
4.5 Transport
UN 2222
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H226 Flammable liquid and vapour

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.

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.

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. Computational chemical data
  • Molecular Weight:108.13782g/mol
  • Molecular Formula:C10H8N2O
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:108.057514874
  • Monoisotopic Mass:108.057514874
  • Complexity:55.4
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:9.2
  • Heavy Atom Count:8
  • 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. Question & Answer
  • It does indeeed. This reference describes the F-C reaction of anisole under AlCl3 or BF3 catalysis in good yields with the expected o/p direction. J. Am. Chem. Soc. 106 (1984) 5284 There are numerous other references It should be noted that Anisole + AlCl3 is a method for demethylation to the pheno...
  • Dimethyl sulphate breaks the oh bond and forms anisole. How does the reaction proceed?? is it oxygen lone pair attacks on sulphur which has partial positive charge?? the reaction takes place in presence of naoh
  • Question: My Attempt: In most of the ethers reaction of HI in excess yields alkane iodide products. But in case of anisole two scenarios are possible, I believe: The HI breaks bond between methyl and oxygen leading to formation of phenol and methyliodide. The phenol formed further reacts to form ph...
  • I am having trouble understanding the reaction of anisole with dihydrofuran-2,5-dione (succinic anhydride) in presence of A l C l X 3 " style="position: relative;" tabindex="0" id="MathJax-Element-2-Frame" class="MathJax" A l C l X 3 A l C l X 3 and acid works or how an electrophile is formed. I fe...
7. Recommended Suppliers
Global186SuppliersView all >>
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:Helen@crovellbio.com
Hot sale Anisole in stock CAS 100-66-3
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2021/11/10
Inquire
  • Products:xylazine hcl,phenacetin,4-Methylpropiophenone,(2-Bromoethyl)benzene,4-Methoxybenzoyl chloride
  • Tel:86-311-18033708384
  • Email:bella@hbyingong.com
Hot selling 99% purity 99% cas 100-66-3 Anisole in stock
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 450 USD/Kilogram
  • Time: 2021/06/29
Inquire
  • Products:API,Pharmaceutical intermediates, food additives, plant extracts,cosmetics,fine chemicals,reagents
  • Tel:+86-571-88216897
  • Email:bobtang@hzclap.com
Anisole
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2020/12/26
Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Anisole CAS 100-66-3
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2020/01/07
Inquire
  • Products:1451-82-7 236117-38-7 49851-31-2 124878-55-3 20388-87-8 22374-89-6 28578-16-7 52190-28-0 2836-82-0 288573-56-8 20320-59-6
  • Tel:+86-311-85355123
  • Email:zhuangkai@zk-chem.com
Anisole;Methoxybenzene
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2021/03/02
Inquire