Basic information
- CAS
590417-94-0- Standard SMILES
Cn1ncc2ccc(Br)cc21- InChIKey
SVVSOIGNROPKMS-UHFFFAOYSA-N- Molecular formula
- C8H7BrN2
- Average molar mass
- 211.06 g/mol
- Monoisotopic mass
- 209.97926032
Names & identifiers
- Preferred name
- 6-Bromo-1-methyl-1H-indazole
- IUPAC
- 6-bromo-1-methylindazole
- English name
- 6-Bromo-1-methyl-1H-indazole
- Molecular formula
- C8H7BrN2
- Molecular weight
- 211.06
Names & synonyms
6-bromo-1-methyl-1H-indazole590417-94-0DTXSID40626440RefChem:307326DTXCID70577193692-962-96-bromo-1-methylindazole1-METHYL-6-BROMOINDAZOLEMFCD098785696-bromo-1-methyl-indazole1H-INDAZOLE, 6-BROMO-1-METHYL-SCHEMBL422886
Show more names
CAS:590417-94-06-Bromo-1-methyl-1H-idazole6-Bromo-7-Chloro-2,3-Dimethylquinoxaline6-bromo-1-methyl-3a,7a-dihydro-1H-indazole
SCHEMBL29427078SVVSOIGNROPKMS-UHFFFAOYSA-NCS-D0266AKOS005258416AC-3119FB54481FS-2384PB22316
Database identifiers
- CAS
590417-94-0- PubChem CID
- 22558675
- DTXSID
DTXSID40626440- EC Number
- 692-962-9
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 293.6 · 293.6±13.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 0.66 · 0.66±0.30(Predicted)
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1S/C8H7BrN2/c1-11-8-4-7(9)3-2-6(8)5-10-11/h2-5H,1H3
- InChIKey
- SVVSOIGNROPKMS-UHFFFAOYSA-N
- SMILES
- N1(C)C2=C(C=CC(Br)=C2)C=N1
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 360 · H360
- Precautionary statements
- 501 · P501-P202-P201-P280-P308+P313-P405
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HS Code
- 2933998090 · 2933998090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (95.1%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.1%)
Safety data
- hs_code
- 2933998090
- risk_code
- 22
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- Hazard statements
- H360
- Precautionary statements
- P501-P202-P201-P280-P308+P313-P405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 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]
上海艾澜医药有限公司021-58099609-8008 13816260319 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司
Related reactions
8 records
Compound notes
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