Basic information
- CAS
885223-72-3- Standard SMILES
Cc1cc2[nH]ncc2cc1Br- InChIKey
UTDBMGRTYFPTEC-UHFFFAOYSA-N- Molecular formula
- C8H7BrN2
- Average molar mass
- 211.06 g/mol
- Monoisotopic mass
- 209.97926
Names & identifiers
- Preferred name
- 5-Bromo-6-methyl-1H-indazole
- IUPAC
- 5-bromo-6-methyl-1H-indazole
- English name
- 5-Bromo-6-methyl-1H-indazole
- Molecular formula
- C8H7BrN2
- Molecular weight
- 211.06
Names & synonyms
5-BROMO-6-METHYL-1H-INDAZOLE885223-72-3DTXSID60646665RefChem:301966DTXCID10597416640-649-2MFCD090269911H-INDAZOLE, 5-BROMO-6-METHYL-SCHEMBL7674475-Bromo-6-methyl-1H-indazole, 97%AC-236115-Bromo-6-methyl-1H-indazole, AldrichCPR
Show more names
-1H-indazoL5-Bromo-6-methyL5-Bromo-6-methylindazole
BCP90001785-bromo-6-methyl-indazoleCS-M0325STL557064AKOS005258417FS-3260MB06734SY014187
Database identifiers
- CAS
885223-72-3- PubChem CID
- 24729259
- DTXSID
DTXSID60646665- EC Number
- 640-649-2
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 166 · 166-169°C
- Boiling point
- 344.6 · 344.6±22.0 °C(Predicted)
- Density
- 1.654 · 1.654±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- solid
- pka
- 13.21 · 13.21±0.40(Predicted)
- Appearance
- Yellow to brown Solid
- InChI
- InChI=1S/C8H7BrN2/c1-5-2-8-6(3-7(5)9)4-10-11-8/h2-4H,1H3,(H,10,11)
- InChIKey
- UTDBMGRTYFPTEC-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=C(Br)C(C)=C2)C=N1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933998090
- risk_code
- 22-51
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses5-Bromo-6-methyl-1H-indazole is a heterocyclic organic compound, and some literature reports that it can be used to prepare LRRK2 inhibitors.
Upstream & downstream products
Upstream raw materials
Suppliers88 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
南通腾隆生物科技有限公司0513-13361831033 13361831033 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Related reactions
9 records
Compound notes
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