Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Pharmaceutical  /  Custom Manufacturing  /  Other Chemicals
1H-Tetrazole, 5-(1-methyl-1-phenylethyl)- structure
1H-Tetrazole, 5-(1-methyl-1-phenylethyl)- structure

1H-Tetrazole, 5-(1-methyl-1-phenylethyl)-

Iupac Name:5-methyl-2-phenyl-4H-pyrazol-3-one
CAS No.:89-25-8
Molecular Weight:174.1992
1. Names and Identifiers
1.1 Name
1H-Tetrazole, 5-(1-methyl-1-phenylethyl)-
1.2 CAS No.
89-25-8
1.3 CID
4021
1.4 Molecular Formula
C7H17NO (isomer)
1.5 Inchi
InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
1.6 InChkey
QELUYTUMUWHWMC-UHFFFAOYSA-N
1.7 Canonical Smiles
CC1=NN(C(=O)C1)C2=CC=CC=C2
1.8 Isomers Smiles
CC1=NN(C(=O)C1)C2=CC=CC=C2
2. 3D Conformer
3. Properties
3.1 Melting Point
127-131℃
3.2 Vapour
less than 0.01 mm Hg at 68 °F (NTP, 1992)
3.3 Refractive Index
0.00014 (25 C)
4. Safety and Handling
4.1 Risk Statements
R36/37/38
4.2 Safety Statements
S26;S36
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Skin sensitization, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H413 May cause long lasting harmful effects to aquatic life

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.

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

P273 Avoid release to the environment.

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.

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

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:174.1992g/mol
  • Molecular Formula:C7H17NO
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.3
  • Exact Mass:174.079312947
  • Monoisotopic Mass:174.079312947
  • Complexity:241
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:32.7
  • Heavy Atom Count:13
  • 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
8. Recommended Suppliers
Global400SuppliersView all >>
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
edaravone cas 89-25-8
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Kilogram
  • Time: 2021/06/21
Inquire
  • Products:Professional production of steroids. API intermediates
  • Tel:86-597-2500105
  • Email:tianhua-contact@foxmail.com
5-Methyl-2-phenyl-1,2-dihydropyrazol-3-one
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 20 USD/Kilogram
  • Time: 2020/12/09
Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
High purity Edaravone CAS 89-25-8 supplied by manufacturer
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 140 USD/Kilogram
  • Time: 2020/01/07
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
3-Methyl-1-phenyl-2-pyrazolin-5-one
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 100 USD/Metric Ton
  • Time: 2019/12/20
Inquire
  • Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
  • Tel:86-571-85829052
  • Email:market@royalpharms.com
Edaravone
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Kilogram
  • Time: 2019/12/06
Inquire