6-Bromo-4-cinnolinol

HCID 270902
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Basic information

CAS
876-88-0
Standard SMILES
O=c1cn[nH]c2ccc(Br)cc12
InChIKey
VWMHMZLZLNLBPB-UHFFFAOYSA-N
Molecular formula
C8H5BrN2O
Average molar mass
225.04 g/mol
Monoisotopic mass
223.95852488

Names & identifiers

Preferred name
6-Bromo-4-cinnolinol
IUPAC
6-bromo-1H-cinnolin-4-one
English name
6-bromocinnolin-4-ol
Molecular formula
C8H5BrN2O
Molecular weight
225.04

Names & synonyms

876-88-06-Bromo-4-cinnolinol4-Cinnolinol, 6-bromo-9VXF8HBE3XDTXSID50236514NSC 114061NSC-114061RefChem:104306DTXCID801590056-Bromocinnolin-4-ol6-bromocinnolin-4(1H)-one552330-87-7
Show more names
6-bromo-1H-cinnolin-4-one6-bromo-4(1H)-CinnolinoneMFCD09834642MFCD16659039UNII-9VXF8HBE3XNSC114061SCHEMBL796509MLS002706546

Database identifiers

CAS
876-88-0
PubChem CID
270902
DTXSID
DTXSID50236514
ChEMBL
CHEMBL1722545
UNII
9VXF8HBE3X
EC Number
895-507-4

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
41.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Melting point
276 · 276-277 °C
Boiling point
405.4 · 405.4±48.0 °C(Predicted)
Density
1.805 · 1.805±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
2.32 · 2.32±0.40(Predicted)
FDA UNII
9 VXF8HBE3X · 9VXF8HBE3X

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319
Precautionary statements
P261-P302+P352-P305+P351+P338

Chemistry & industry

Suppliers35 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州格镭生物科技有限公司19903857099; 19937938981
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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