7-Bromo-5-nitroindoline
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Basic information
- CAS
87240-06-0- Standard SMILES
O=[N+]([O-])c1cc(Br)c2c(c1)CCN2- InChIKey
WCSNLUZLJCPUDG-UHFFFAOYSA-N- Molecular formula
- C8H7BrN2O2
- Average molar mass
- 243.06 g/mol
- Monoisotopic mass
- 241.96909
Names & identifiers
- Preferred name
- 7-Bromo-5-nitroindoline
- IUPAC
- 7-bromo-5-nitro-2,3-dihydro-1H-indole
- English name
- 7-Bromo-5-nitroindoline
- Molecular formula
- C8H7BrN2O2
- Molecular weight
- 243.06
Names & synonyms
7-bromo-5-nitroindolineDTXSID80314475RefChem:545869DTXCID80265599814-984-187240-06-07-bromo-5-nitro-2,3-dihydro-1H-indoleMFCD09258800MLS0031155551H-Indole, 7-bromo-2,3-dihydro-5-nitro-NSC2838527-bromo-5-nitro-indoline
Show more names
NSC 283852
7-bromo-5-nitro-1h-indolineSCHEMBL3920383CHEMBL21305567-Bromo-5-nitroindoline 95+%WCSNLUZLJCPUDG-UHFFFAOYSA-NMDA24006SBB099672AKOS015898588
Database identifiers
- CAS
87240-06-0- PubChem CID
- 323490
- DTXSID
DTXSID80314475- ChEMBL
CHEMBL2130556- EC Number
- 814-984-1
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 149 · 149-151℃
- Boiling point
- 356 · 356.0±42.0 °C(Predicted)
- Density
- 1.704 · 1.704±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- -1.03 · -1.03±0.20(Predicted)
- Appearance
- Brown to khaki Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
- HazardClass
- IRRITANT
- 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]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
21 records
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