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Home> Encyclopedia > Hot Product Listed 6   > 6-Isoquinolinol,1,2,3,4-tetrahydro-, hydrochloride (1:1)
22276-95-5 structure

6-Isoquinolinol,1,2,3,4-tetrahydro-, hydrochloride (1:1)

Iupac Name:5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
CAS No.:22276-95-5
Molecular Weight:232.46512
Molecular Formula:C7H8N4O (isomer)
Names and Identifiers
Synonyms

1,2,3,4-tetrahydro-6-isoquinolinol hydrochloride 1,2,3,4-tetrahydro-6-isoquinolinolhydrochloride 1,2,3,4-tetrahydro-isoquinolin-6-ol hcl 1,2,3,4-tetrahydroisoquinolin-6-ol hcl 1,2,3,4-tetrahydro-isoquinolin-6-ol hydrochloride 1,2,3,4-tetrahydroisoquinolin-6-ol hydrochloride 6-hydroxy-1,2,3,4-tetrahydroisoquinoline hydrochloride 6-isoquinolinol, 1,2,3,4-tetrahydro-, hydrochloride 6-Isoquinolinol,1,2,3,4-tetrahydro-, hydrochloride (9CI) 9788AB AKOS004907207 DA-17773 HE173215 KKZTXWVJZMVLFG-UHFFFAOYSA-N mfcd01444791 SCHEMBL453336 T57290 TC-149886 VQ10468 WT82023

Inchi
InChI=1/C6H3BrClN3/c7-3-1-9-6-4(3)5(8)10-2-11-6/h1-2H,(H,9,10,11)
Canonical Smiles
C1=C(C2=C(N1)N=CN=C2Cl)Br
Properties
Boiling Point
744.3°C at 760 mmHg
Vapour
9.14E-06mmHg at 25°C
Refractive Index
1.746
Flash Point
245.4°C
HS Code
2933990090
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic 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/…

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:232.46512g/mol
  • Molecular Formula:C7H8N4O
  • Exact Mass:230.919887
  • Monoisotopic Mass:230.919887
  • Complexity:157
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:41.6
  • Heavy Atom Count:11
  • 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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