Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 2   > 2-Pyrimidinamine,4-(2-thienyl)-6-(trifluoromethyl)-
591-27-5 structure

2-Pyrimidinamine,4-(2-thienyl)-6-(trifluoromethyl)-

Iupac Name:3-aminophenol
CAS No.:591-27-5
Molecular Weight:109.128
Molecular Formula:C22H30O8 (isomer)
Names and Identifiers
Synonyms

2T-0639 4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinamine 4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-amine 4-(2-thienyl)-6-(trifluoromethyl)pyrimidine-2-ylamine 4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine 4-(trifluoromethyl)-6-(thiophen-2-yl)pyrimidin-2-amine 4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine 4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylamine AC1L6OZG AKOS000545359 AN-512/13263025 BAS 05512483 c9h6f3n3s CCG-45197 DTXSID50304328 HE248648 HMS556O11 KS-000034XW MAYBRIDGE1_005423 MCULE-1816185789 mfcd00160468 MOLPORT-002-001-646 NSC 165424 nsc165424 nsc-165424 Pyrimidine,2-amino-4-(2-thienyl)-6-(trifluoromethyl)- (6CI,8CI) SR-01000634980-1 ST45089603 STK077661 STOCK1S-58706 Z56770358 ZINC171334

Inchi
InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
InChkey
CWLKGDAVCFYWJK-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC(=C1)O)N
Properties
Density
1.23
Melting Point
121-124℃
Flash Point
237.5°C
HS Code
29222900
Safety and Handling
Risk Statements
R20/22;R51/53
Safety Statements
S28;S61
HazardClass
6.1
PackingGroup
III
Transport
UN 2512
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 100_1000 view >
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
EUROCHEMICALS 2017
REACH24H CONSULTING GROUP 2013
S.A. ROBAMA 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Inhalation, Category 4

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H332 Harmful if inhaled

H411 Toxic 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.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P273 Avoid release to the environment.

Response

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

P330 Rinse mouth.

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

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:109.128g/mol
  • Molecular Formula:C22H30O8
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.2
  • Exact Mass:109.053
  • Monoisotopic Mass:109.053
  • Complexity:74.9
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:46.2A^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
  • CACTVS Substructure Key Fingerprint: AAADcYBiIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAACAyBkAAwxoBAAgCA ACRCQACCAAAgIgAIiAAGbIgIJiKCkZOAcABm0BkI2AeQUAEAAAAAAgAAAAAAAAAEAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-87465837
  • Fax:86-27-87772287
Recommended Suppliers
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-87465837
  • Fax:86-27-87772287
 
<