Basic information
- CAS
74209-34-0- Standard SMILES
O=[N+]([O-])c1cccc2c(Br)[nH]nc12- InChIKey
NFSTZPMYAZRZPC-UHFFFAOYSA-N- Molecular formula
- C7H4BrN3O2
- Average molar mass
- 242.03 g/mol
- Monoisotopic mass
- 240.94869
Names & identifiers
- Preferred name
- 3-Bromo-7-Nitroindazole
- IUPAC
- 3-bromo-7-nitro-2H-indazole
- English name
- 3-Bromo-7-nitroindazole
- Molecular formula
- C7H4BrN3O2
- Molecular weight
- 242.03
Names & synonyms
3-bromo-7-nitroindazole3-Br-7-NIRefChem:4991313-Bromo-7-nitro-1H-indazole74209-34-03-bromo-7-nitro-2H-indazole3-bromo-7NIMFCD00159910BSPBio_001502KBioGR_000222KBioSS_000222Bio2_000222
Show more names
BRNI3-Bromo-7-nitroindaz7-NITROINDAZOLE, 3-BROMO-1H-INDAZOLE,3-BROMO-7-NITRO-3-BroMo-7-nitro-1H-indazo...3-Bromo-7-nitroindazole, 98+%3-Bromo-7-nitroindazole, 10 mM in DMSO
CHEMBL479014B 2050Tox21_500161INENCGC00024756-06NCGC00024756-07HY-101175EU-0100161
Database identifiers
- CAS
74209-34-0- PubChem CID
- 1649
- DTXSID
DTXSID90274319- ChEMBL
CHEMBL479014- UNII
- JV476W5DY7
- EC Number
- 636-128-4
- Nikkaji
- J744.305F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 175 · 175-185 °C
- Boiling point
- 182 °C · 182°C
- Density
- 1.8856 · 1.8856 (rough estimate)
- refractive index
- 1.62 · 1.6200 (estimate)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- 25 mg/mL · ethanol: 25 mg/mL
- form
- powder
- pka
- 7.85 · 7.85±0.40(Predicted)
- color
- light yellow
- Sensitive
- Light Sensitive
- InChI
- InChI=1S/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)
- InChIKey
- NFSTZPMYAZRZPC-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2[N+]([O-])=O)C(Br)=N1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesRepr. 1B (100%)
Safety data
- wgk
- 3
- hs_code
- 2933998090
- risk_code
- 60
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- hazard_code
- T
- hazard_note
- Harmful to reproduction
- safety_code
- 53-22-36/37/39-45
- hazard_class
- IRRITANT
- Hazard statements
- H360
- Precautionary statements
- P201-P308+P313-P202-P280-P405-P501a
Chemistry & industry
Applications
UsesA more potent inhibitor of rat cerebellar nitric oxide synthase than 7-nitroindazole
UsesInhibitor of nitric oxide synthase (NOS)
Uses3-Bromo-7-nitroindazole is a potent and selective neuronal nitric oxide synthase (nNOS) inhibitor (1,2). It is also a neuroprotective compound that inhibits the endoplasmic reticulum stress pathway. 3-Bromo-7-nitroindazole has been used to study the role of nitric oxide synthase (nNOS) in spatial memory formation in rats (2).
Suppliers80 total
上海策嵘生物科技有限公司[email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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