Basic information
- CAS
3077-85-8- Standard SMILES
O=[N+]([O-])c1ccc2[nH]c3ccccc3c2c1- InChIKey
ZYNHZTIMNJKVLK-UHFFFAOYSA-N- Molecular formula
- C12H8N2O2
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.0585775
Names & identifiers
- Preferred name
- 3-Nitrocarbazole
- IUPAC
- 3-nitro-9H-carbazole
- English name
- 3-nitrocarbazole
- Molecular formula
- C12H8N2O2
- Molecular weight
- 212.2
Names & synonyms
3-Nitro-9H-carbazole3-Nitrocarbazole3077-85-8NSC 67708CCRIS 6501BRN 0185812EINECS 221-367-513QQ7XQ10FINF-51NSC-67708CARBAZOLE, 3-NITRO-RefChem:504491
Show more names
INF 51
221-367-59H-Carbazole, 3-nitro-MFCD00034691CBDivE_001994SY094029NSC677083-Nitro-9H-carbazole #Cambridge id 5105625
Database identifiers
- CAS
3077-85-8- PubChem CID
- 76503
- DTXSID
DTXSID90184787- ChEMBL
CHEMBL164388- UNII
- 13QQ7XQ10F
- EC Number
- 221-367-5
- Nikkaji
- J45.206H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Melting point
- 216 · 216-217℃
- Boiling point
- 449 ℃ · 449℃
- Density
- 1.435 · 1.435
- Flash point
- 225 ℃ · 225℃
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Ethanol (Slightly, Heated), Methanol (Very Slightly, Heated)
- form
- Solid
- pka
- 15.19 · 15.19±0.30(Predicted)
- color
- Dark Red to Brown
- InChI
- InChI=1S/C12H8N2O2/c15-14(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-7,13H
- InChIKey
- ZYNHZTIMNJKVLK-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)C2=C1C=CC([N+]([O-])=O)=C2
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 13 QQ7XQ10F · 13QQ7XQ10F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses3-Nitrocarbazole is a nitrated polycyclic aromatic hydrocarbon (PAH) with mutagenic activity.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers62 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
BAYNOE CHEM CO.,LTD+86-21-34783353 +8615000719740 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
郑州格镭生物科技有限公司19903857099; 19937938981 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Related reactions
5 records
Compound notes
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