Basic information
- CAS
956003-06-8- Standard SMILES
Cn1cc(Br)c2ccncc21- InChIKey
KGRPPHQYYHQOFZ-UHFFFAOYSA-N- Molecular formula
- C8H7BrN2
- Average molar mass
- 211.06 g/mol
Names & identifiers
- Preferred name
- 3-bromo-1-methyl-1H-pyrrolo[2,3-c]pyridine
- IUPAC
- 3-bromo-1-methylpyrrolo[2,3-c]pyridine
- English name
- 3-bromo-1-methyl-1H-Pyrrolo[2,3-c]pyridine
- Molecular formula
- C8H7BrN2
- Molecular weight
- 211.06
Names & synonyms
3-bromo-1-methyl-1H-pyrrolo[2,3-c]pyridine956003-06-8MFCD220392503-bromo-1-methylpyrrolo[2,3-c]pyridine1H-Pyrrolo[2,3-c]pyridine, 3-bromo-1-methyl-SCHEMBL2877666KGRPPHQYYHQOFZ-UHFFFAOYSA-NSB15756DA-20832SY247714G15045EN300-6245148
Database identifiers
- CAS
956003-06-8
Properties
Computed structural properties
- XLogP
- 1.6
- 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
- 332.4 · 332.4±22.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 7.08 · 7.08±0.30(Predicted)
- Appearance
- yellow solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers11 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
北京博恩康达医药科技有限公司13261021908 · [email protected]
上海圣酮生物医药有限公司15065661979 15065661979 · [email protected]
诺圣华控股集团有限公司+86-023-62871537 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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