3,6-Dimethoxy-9H-carbazole
Basic information
- CAS
57103-01-2- Standard SMILES
COc1ccc2[nH]c3ccc(OC)cc3c2c1- InChIKey
YQKMWXHJSIEAEX-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Overview
3,6-dimethoxy-9H-carbazole is a member of carbazoles.
Names & identifiers
- Preferred name
- 3,6-Dimethoxy-9H-carbazole
- IUPAC
- 3,6-dimethoxy-9H-carbazole
- English name
- 3,6-diMethoxy-9H-carbazole
- Molecular formula
- C14H13NO2
- Molecular weight
- 227.26
Names & synonyms
3,6-Dimethoxy-9H-carbazole57103-01-2DTXSID80349388RefChem:91764DTXCID80300459834-909-63,6-dimethoxycarbazole9H-Carbazole, 3,6-dimethoxy-MFCD00626046Oprea1_346578Oprea1_567958SMR000001088
Show more names
SKL084Carprofen Impurity 183,6-DIMETHOXY-9H-CARBAZOLE(WX145603)
MLS000029186SCHEMBL2597652HMS2376N10AKOS000733280DS-19180SY234603CS-0167938W15026
Database identifiers
- CAS
57103-01-2- PubChem CID
- 644464
- DTXSID
DTXSID80349388- ChEMBL
CHEMBL1562810- ChEBI
CHEBI:123213- EC Number
- 834-909-6
- Nikkaji
- J3.320.600C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 34.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 131 · 131-133 °C
- Boiling point
- 426.7 · 426.7±25.0 °C(Predicted)
- Density
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 17.26 · 17.26±0.30(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C14H13NO2/c1-16-9-3-5-13-11(7-9)12-8-10(17-2)4-6-14(12)15-13/h3-8,15H,1-2H3
- InChIKey
- YQKMWXHJSIEAEX-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=C(OC)C=C2)C2=C1C=CC(OC)=C2
- CAS DataBase Reference
- 57103 · 57103-01-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H315 (100%): 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 2 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933.99.8290
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Additional notes
DefinitionChEBI: 3,6-dimethoxy-9H-carbazole is a member of carbazoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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