Basic information
- Standard SMILES
c1ccc2c(c1)[nH]c1ccccc12- InChIKey
UJOBWOGCFQCDNV-UHFFFAOYSA-N- Molecular formula
- C12H9N
- Average molar mass
- 167.21 g/mol
- Monoisotopic mass
- 167.07349929
Names & identifiers
- Preferred name
- Carbazole
- IUPAC
- 9H-carbazole
- English name
- Carbazole
- Molecular formula
- C12H9N
- Molecular weight
- 167.21
Names & synonyms
CARBAZOLE9H-Carbazole86-74-8DibenzopyrroleDiphenylenimine9-AzafluoreneDiphenylenimideDiphenyleneimineDibenzo[b,d]pyrroleUSAF EK-600Dibenzo(b,d)pyrroleDTXSID4020248
Show more names
Carbazole,99%9H-Carbazole 96%usafek-600
SKF 200910P2197HHHNNSC-3498DTXCID40248CHEBI:27543RefChem:574162CHEBI:3391CHEBI:39205
Database identifiers
- CAS
105184-46-1、86-74-8- PubChem CID
- 6854
- DTXSID
DTXSID4020248- ChEMBL
CHEMBL243580- ChEBI
CHEBI:27543- UNII
- 0P2197HHHN
- EC Number
- 201-696-0
- Nikkaji
- J3.896B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 243 · 243-246 °C (lit.)
- Boiling point
- 355 °C · 355 °C (lit.)
- Density
- 1.1 · 1.1
- bulk density
- 620 kg/m3 · 620kg/m3
- vapor pressure
- 400 mm · 400 mm Hg ( 323 °C)
- refractive index
- 1.6192 · 1.6192 (estimate)
- Flash point
- 220 °C · 220 °C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 50 mg/mL · acetone: soluble50mg/mL
- form
- Crystalline Powder, Flakes, or Chunks
- pka
- 17 · 17.00±0.30(Predicted)
- color
- Beige-yellow or beige-brownish
- Water Solubility
- 0.1 g/100 · <0.1 g/100 mL at 19 ºC
- Merck
- 14 · 14,1790
- BRN
- 3956 · 3956
- Henry's Law Constant
- 9.4 · 9.4×101 mol/(m3Pa) at 25℃, Brockbank (2013)
- Dielectric constant
- 1.3 · 1.3(Ambient)
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents, nitrogen oxides, potassium hydroxide.
- Major Application
- clinicalenvironmental
- InChI
- 1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
- InChIKey
- UJOBWOGCFQCDNV-UHFFFAOYSA-N
- SMILES
- c1ccc2c(c1)[nH]c3ccccc23
- LogP
- 3.84 at · 3.84 at 22℃ and pH7
- CAS DataBase Reference
- 86 · 86-74-8(CAS DataBase Reference)
- EWG's Food Scores
- 3 · 3-6
- FDA UNII
- 0 P2197HHHN · 0P2197HHHN
- Proposition 65 List
- Carbazole
- NIST Chemistry Reference
- Carbazole(86-74-8)
- IARC
- 2 B · 2B (Vol. 32, Sup 7, 71, 103) 2013
- EPA Substance Registry System
- Carbazole (86-74-8)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H373-H351-H411-H228
- Precautionary statements
- 501 · P501-P273-P260-P202-P240-P210-P201-P241-P264-P280-P302+P352-P370+P378-P391-P308+P313-P337+P313-P305+P351+P338-P362+P364-P332+P313-P405
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- Xn,N,T
- Risk Statements
- 22 · 22-36/37/38-40-50/53-63-43-23/24/25-45-67-68-51/53
- Safety Statements
- 26 · 26-36-60-61-36/37-24/25-23-53-45-36/37/39
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 2 · 2
- RTECS
- 3150000 · FE3150000
- F
- 10 · 10
- Hazard Note
- Harmful
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
- PackingGroup
- III
- HS Code
- 29339990 · 29339990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Carc · Aquatic Chronic 4Carc. 2Muta. 2
- Hazardous Substances Data
- 86 · 86-74-8(Hazardous Substances Data)
- Toxicity
- 50 orally · LD50 orally in rats: >5 g/kg (Eagle, Carlson)
- REACH Registrations
- Active
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
Safety data
- F
- 10
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- FE3150000
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29339990
- Toxicity
- LD50 orally in rats: >5 g/kg (Eagle, Carlson)
- risk_code
- 22-36/37/38-40-50/53-63-43-23/24/25-45-67-68-51/53
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07,GHS08,GHS09
- hazard_code
- Xn,N,T
- hazard_note
- Harmful
- safety_code
- 26-36-60-61-36/37-24/25-23-53-45-36/37/39
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H315-H319-H373-H351-H411-H228
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 4Carc. 2Muta. 2
- Precautionary statements
- P501-P273-P260-P202-P240-P210-P201-P241-P264-P280-P302+P352-P370+P378-P391-P308+P313-P337+P313-P305+P351+P338-P362+P364-P332+P313-P405
- Hazardous Substances Data
- 86-74-8(Hazardous Substances Data)
Chemistry & industry
Applications
UsesIntermediate in production of dyes and UVsensitive photographic plates.
UsesImportant dye intermediate. Used in making photographic plates sensitive to ultraviolet light. Reagent for lignin, carbohydrates, and formaldehyde.
UsesCarbazole and its derivatives are widely used as an intermediate in synthesis of pharmaceuticals, agrochemicals, dyes, pigments and other organic compounds.carbazole is also used in luminescence chemistry as a photosensitizing and additional charge transport material. Carbazole structure is a motif in pharmaceuticals such as carvedilol used to treat high blood pressure and to prevent cardiac arrhythmias and angina.
General DescriptionWhite crystals, plates, leaflets or light tan powder. Sublimes readily. Exhibits strong fluorescence and long phosphorescence on exposure to ultraviolet light.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers2 total
SIGMA—
SIGMAALDRICH—
Additional notes
DefinitionA white crystalline compound used in the manufacture of dyestuffs.
Definitioncarbazole: A white crystalline compoundfound with anthracene,C12H9N; m.p. 238°C; b.p. 335°C. It isused in the manufacture of dyestuffs.
Related reactions
405 records
Linked notes
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