3-Bromopyrazolo(1,5-b)pyridazine

HCID 52988024
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Basic information

CAS
1137949-68-8
Standard SMILES
Brc1cnn2ncccc12
InChIKey
KJJXLSMSVBLMDA-UHFFFAOYSA-N
Molecular formula
C6H4BrN3
Average molar mass
198.02 g/mol

Names & identifiers

Preferred name
3-Bromopyrazolo(1,5-b)pyridazine
IUPAC
3-bromopyrazolo[1,5-b]pyridazine
English name
3-Bromopyrazolo[1,5-b]pyridazine
Molecular formula
C6H4BrN3
Molecular weight
198.02

Names & synonyms

3-BROMOPYRAZOLO[1,5-B]PYRIDAZINE1137949-68-83-Bromopyrazolo(1,5-b)pyridazineRefChem:499396856-259-2MFCD13180558SCHEMBL1426241KJJXLSMSVBLMDA-UHFFFAOYSA-NMVB94968AKOS022179282PB15135PS-15383
Show more names
3-Bromopyrazolo[1,5-b]pyrazine
SY059163DB-366334CS-0055377PYRAZOLO[1,5-B]PYRIDAZINE, 3-BROMO-EN300-128044P11600F800561Z1255495342

Database identifiers

CAS
1137949-68-8
PubChem CID
52988024
EC Number
856-259-2

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
30.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
10

Physicochemical properties

Density
1.89 · 1.89±0.1 g/cm3(Predicted)
storage temp.
2 · Storage temp. 2-8°C
pka
0.46 · 0.46±0.30(Predicted)
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H302-H335-H319
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Suppliers21 total

北京炎礼生物科技有限公司18600731423 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
嘉兴诺华化工有限公司18957373295

Related reactions

1 records
New reaction record

Compound notes

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