6-bromo-1H-indole-2-carbonitrile
Basic information
- CAS
1420537-60-5- Standard SMILES
N#Cc1cc2ccc(Br)cc2[nH]1- InChIKey
MMTZWOPSFGBVSK-UHFFFAOYSA-N- Molecular formula
- C9H5BrN2
- Average molar mass
- 221.05 g/mol
- Monoisotopic mass
- 219.96361
Names & identifiers
- Preferred name
- 6-bromo-1H-indole-2-carbonitrile
- IUPAC
- 6-bromo-1H-indole-2-carbonitrile
- English name
- 6-Bromo-1H-indole-2-carbonitrile
- Molecular formula
- C9H5BrN2
- Molecular weight
- 221.05
Names & synonyms
6-bromo-1H-indole-2-carbonitrileRefChem:540606939-356-51420537-60-5MFCD226891551H-Indole-2-carbonitrile, 6-bromo-SCHEMBL6336055SCHEMBL31568898AKOS015996929MG-0706SY526831DB-317973
Show more names
CS-0119406D96347F618243
Database identifiers
- CAS
1420537-60-5- PubChem CID
- 69745505
- EC Number
- 939-356-5
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 39.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- form
- solid
- color
- Brown to dark brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2933998090 · 2933998090
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]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…