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Home> Hot Product Listed S   > SCHEMBL4015262
70374-39-9 structure

SCHEMBL4015262

CAS No.:70374-39-9
Molecular Weight:371.8192
Molecular Formula:C17H21FN4O (isomer)
Names and Identifiers
Synonyms

2-[4-(4-chloro-phenylamino)-pyrimidin-2-yl]-2h-indazol-6-ylamine

Inchi
InChI=1/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,18H,1H3,(H,15,16,19)
Canonical Smiles
CN1C(=C(NC2=CC=CC=N2)O)C(=O)C3=C(S1(=O)=O)C=C(S3)Cl
Isomers Smiles
CN1/C(=C(\NC2=CC=CC=N2)/O)/C(=O)C3=C(S1(=O)=O)C=C(S3)Cl
Properties
Melting Point
225-230°C (dec.)
Refractive Index
1.741
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
26-36
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 70374-39-9 EC: SCHEMBL4015262 ·ECHA C&L Inventory for CAS: CAS: 70374-39-9 EC: SCHEMBL4015262
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H300 Fatal if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:371.8192g/mol
  • Molecular Formula:C17H21FN4O
  • Exact Mass:370.980125
  • Monoisotopic Mass:370.980125
  • Complexity:634
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:136
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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