Basic information
- CAS
518-67-2- Standard SMILES
C[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[Br-]- InChIKey
MQOKYEROIFEEBH-UHFFFAOYSA-N- Molecular formula
- C20H18N3.Br
- Average molar mass
- 380.3 g/mol
- Monoisotopic mass
- 379.06841
Names & identifiers
- Preferred name
- Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1)
- IUPAC
- 5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide
- English name
- Dimidium bromide
- Molecular formula
- C20H18BrN3
- Molecular weight
- 380.28
Names & synonyms
Dimidium bromide518-67-2TrypadinePhenanthridinium compound 1553Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide4LYH37ZZQ22,7-Diamino-10-methyl-9-phenylphenanthridinium bromideNSC-522842PHENANTHRIDINIUM, 3,8-DIAMINO-5-METHYL-6-PHENYL-, BROMIDE (1:1)RefChem:860539208-256-73,8-Diamino-5-methyl-6-phenylphenanthridinium bromide
Show more names
6c46DimidiniumbromideDimidinium bromideDimidiumBromide>Phenanthridinium1553Dimidium Bromide 95%Dimidium bromide, 98+%DIMIDIUM BROMIDE 1/2 H2O
Phenanthridinium 15533,8-diamino-5-methyl-6-phenylphenanthridin-5-ium bromideMFCD000117575-methyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromideUNII-4LYH37ZZQ2Dimidium bromide, >=95%MLS001074889Dimidium bromide, 98.0-102.0%
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Melting point
- 243 · 243-248 °C(lit.)
- bulk density
- 380 kg/m3 · 380kg/m3
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Powder
- color
- Dark red to purple
- Water Solubility
- Soluble in water.
- λmax
- 523 · 523-528 nm in methanol
- BRN
- 3809779 · 3809779
- InChI
- InChI=1S/C20H17N3.BrH/c1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13;/h2-12,22H,21H2,1H3;1H
- InChIKey
- MQOKYEROIFEEBH-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=CC=C2)[N+](C)=C2C(C=CC(N)=C2)=C2C=CC(N)=CC=12.[Br-]
- CAS DataBase Reference
- 518 · 518-67-2(CAS DataBase Reference)
- FDA UNII
- 4 LYH37ZZQ2 · 4LYH37ZZQ2
- UNSPSC Code
- 12352107 · 12352107
- NACRES
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
This chemical does not meet GHS hazard criteria for 34.2% (40 of 117) of reports.
Warning
H315 (65%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 117 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide
Dimidium bromide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (65%)
Safety data
- F
- 3-8-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- SF7960500
- ridadr
- 2811
- hs_code
- 29339900
- Toxicity
- LD50 intravenous in mouse: 7300ug/kg
- risk_code
- 36/37/38-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
Chemistry & industry
Applications
UsesDimidium bromide acts as an inhibitor of L-cell growth. It is used as fluorescent probe for nucleic acids and as interchelating agent. It is also useful in the determination of cationic surfactants.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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