Basic information
- CAS
86-71-5- Standard SMILES
Nc1ccc2[nH]c3ccc(N)cc3c2c1- InChIKey
YCZUWQOJQGCZKG-UHFFFAOYSA-N- Molecular formula
- C12H11N3
- Average molar mass
- 197.24 g/mol
- Monoisotopic mass
- 197.09529735
Names & identifiers
- Preferred name
- 9H-carbazole-3,6-diamine
- IUPAC
- 9H-carbazole-3,6-diamine
- English name
- 3,6-DIAMINOCARBAZOLE
- Molecular formula
- C12H11N3
- Molecular weight
- 197.24
Names & synonyms
9H-Carbazole-3,6-diamine3,6-Diaminocarbazole3,6-DIAMINO-9H-CARBAZOLEUR9L7T736VEINECS 201-692-9NSC-49770Carbazole, 3,6-diamino-DTXSID60235336NSC 49770RefChem:108240DTXCID60157827201-692-9
Show more names
3,6-Diaminocarbazole>3,6-DIAMINOCARBAZOLE 98+%(6-amino-9H-carbazol-3-yl)amine3,6-Diaminocarbazole in isooctane3,6-DIAMIN3,6-DIAMINOCARBAZOLEOCARBAZOLE3,6-diamino-9H-carbazole3,6-diaminocarbazole3,6-Diamino-carbazol
YCZUWQOJQGCZKG-UHFFFAOYSA-N86-71-5MFCD00143081diaminocarbazoleNSC49770Carbazole,6-diamino-Carbazole-3,6-diamineUNII-UR9L7T736V
Database identifiers
- CAS
86-71-5- PubChem CID
- 47108
- DTXSID
DTXSID60235336- ChEMBL
CHEMBL273309- UNII
- UR9L7T736V
- EC Number
- 201-692-9
- Nikkaji
- J79.435J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 276 · 276-279 °C
- Boiling point
- 526.9 · 526.9±30.0 °C(Predicted)
- Density
- 1.403 · 1.403±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 1 mol/L · almost transparency in 1mol/L HCl
- form
- powder to crystal
- pka
- 18.84 · 18.84±0.30(Predicted)
- color
- White to Gray to Brown
- InChIKey
- YCZUWQOJQGCZKG-UHFFFAOYSA-N
- FDA UNII
- 9 L7T736V · UR9L7T736V
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
- RIDADR
- 3259 · 3259
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29332900 · 29332900
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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. 4 (97.4%)
Safety data
- ridadr
- 3259
- hs_code
- 29332900
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
Chemistry & industry
Suppliers100 total
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Related reactions
1 records
Compound notes
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