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Home> Hot Product Listed O   > OPREA1_064451
23680-84-4 structure

OPREA1_064451

Iupac Name:2-chloro-6,7-dimethoxyquinazolin-4-amine
CAS No.:23680-84-4
Molecular Weight:239.6583
Molecular Formula:C22H23N3O4 (isomer)
Names and Identifiers
Synonyms

(4-benzhydrylpiperazin-1-yl)-(4-chloro-3-nitrophenyl)methanone (4-chloro-3-nitrophenyl)[4-(diphenylmethyl)piperazin-1-yl]methanone 1-(4-chloro-3-nitrobenzoyl)-4-(diphenylmethyl)piperazine 4-(diphenylmethyl)piperazinyl 4-chloro-3-nitrophenyl ketone AC1LOSBR AKOS000386333 MCULE-2804562305 MOLPORT-001-492-719 ST024679 STK402120 Z27755738 ZINC19759881

Inchi
InChI=1/C10H10ClN3O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(11)14-9(5)12/h3-4H,1-2H3,(H2,12,13,14)
InChkey
HWIIAAVGRHKSOJ-UHFFFAOYSA-N
Canonical Smiles
COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)N)OC
Properties
Melting Point
262-278℃ (dec.)
Vapour
8.63E-06mmHg at 25°C
Refractive Index
1.649
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
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 0_10 view >
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Sustainability Support Services (Europe) AB 2016
AbbVie Ireland NL B.V. 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

P330 Rinse mouth.

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:239.6583g/mol
  • Molecular Formula:C22H23N3O4
  • XLogP3-AA:2.2
  • Exact Mass:239.046154
  • Monoisotopic Mass:239.046154
  • Complexity:244
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:70.3
  • Heavy Atom Count:16
  • 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
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Recommended Suppliers
  • Tel:86-21-33758180
  • Fax:86-21-51685790
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  • Fax:86-571-88938652
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
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  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-27-88660577
  • Fax:86-27-88991911
  • Tel:86-512-63009836
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