5,7-Dibromoindole
Basic information
- CAS
36132-08-8- Standard SMILES
Brc1cc(Br)c2[nH]ccc2c1- InChIKey
JBAQNCIQGHTHGK-UHFFFAOYSA-N- Molecular formula
- C8H5Br2N
- Average molar mass
- 274.94 g/mol
- Monoisotopic mass
- 272.87887
Names & identifiers
- Preferred name
- 5,7-Dibromoindole
- IUPAC
- 5,7-dibromo-1H-indole
- English name
- 5,7-Dibromo indole
- Molecular formula
- C8H5Br2N
- Molecular weight
- 274.94
Names & synonyms
5,7-DibromoindoleRefChem:528173623-613-05,7-Dibromo-1H-indole36132-08-85,7-DIBROMO INDOLEMFCD030906421H-Indole, 5,7-dibromo-5,7-Dibromo-1H-indole #SCHEMBL8995163DTXSID10347610AKOS005107670
Show more names
5,7-Dibromoindole 97%
MS-1644SY251576AMY73865,7-DibroFT-07112415,7-Dibromoindole, 97%A874431SCHEMBL4852222
Database identifiers
- CAS
36132-08-8- PubChem CID
- 623771
- DTXSID
DTXSID10347610- EC Number
- 623-613-0
- Nikkaji
- J145.448J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 67 · 67-72°C
- Boiling point
- 368.5 · 368.5±22.0 °C(Predicted)
- Density
- 2.048 · 2.048±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.37 · 14.37±0.30(Predicted)
- form
- powder
- Appearance
- White to off-white Solid
- InChI
- 1S/C8H5Br2N/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H
- InChIKey
- JBAQNCIQGHTHGK-UHFFFAOYSA-N
- SMILES
- Brc1cc(Br)c2[nH]ccc2c1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H318-H335-H413
- Precautionary statements
- 273 · P273-P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T
- safety_code
- 26-39-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H318-H335-H413
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 4Eye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Applications
Uses5,7-Dibromo-1H-indole is an indole compound with two bromine atoms as substituents on the benzene ring. 5,7-Dibromo-1H-indole can participate in metalation reactions, the most common of which is lithiation. Other metals used in direct metalation or transmetalation of indoles include magnesium, zinc, tin, and boron. The structure is also known for directed metalation of nitrogen functional groups, directed orthorhombic metalation of substituents other than nitrogen, and halogen metal exchange.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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