9-ethyl-3-nitro-9H-carbazole

HCID 66573
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Basic information

CAS
86-20-4
Standard SMILES
CCn1c2ccccc2c2cc([N+](=O)[O-])ccc21
InChIKey
WONHLSYSHMRRGO-UHFFFAOYSA-N
Molecular formula
C14H12N2O2
Average molar mass
240.26 g/mol
Monoisotopic mass
240.08987762

Names & identifiers

Preferred name
9-ethyl-3-nitro-9H-carbazole
IUPAC
9-ethyl-3-nitrocarbazole
English name
9-Ethyl-3-nitrocarbazole
Molecular formula
C14H12N2O2
Molecular weight
240.26

Names & synonyms

9-Ethyl-3-nitrocarbazole9-Ethyl-3-nitro-9H-carbazole9H-Carbazole, 9-ethyl-3-nitro-n-Ethyl-3-NitrocarbazoleUNII-00X39KP0ASDTXSID0044995NSC 17817NSC-1781700X39KP0ASEINECS 201-655-7DTXCID80249956-NITRO-9-ETHYLCARBAZOLE
Show more names
9-ethyl-3-nitro-9h-carbazol3-Nitro-9-ethyl-9H-carbazole9H-Carbazole,9-ethyl-3-nitro-9-Ethyl-3-nitrocarbazole in toluene
RefChem:107886201-655-7WONHLSYSHMRRGO-UHFFFAOYSA-N86-20-43-Nitro-N-Ethyl carbazole3-Nitro-N-ethylcarbazole3-Nitro-9-ethylcarbazoleMFCD00022215

Database identifiers

CAS
86-20-4
PubChem CID
66573
DTXSID
DTXSID0044995
ChEMBL
CHEMBL1366879
UNII
00X39KP0AS
EC Number
201-655-7
Nikkaji
J36.856C

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
50.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
18

Experimental & physicochemical properties

Collision Cross Section152.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044995]

Physicochemical properties

Melting point
128 · 128-130 °C (lit.)
Boiling point
362.3 · 362.3±24.0 °C(Predicted)
Density
1.35 g/cm3 · 1.35 g/cm3
Henry's Law Constant
3.3 · 3.3×102 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI
InChI=1S/C14H12N2O2/c1-2-15-13-6-4-3-5-11(13)12-9-10(16(17)18)7-8-14(12)15/h3-9H,2H2,1H3
InChIKey
WONHLSYSHMRRGO-UHFFFAOYSA-N

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
22-24/25

Chemistry & industry

Uses & manufacturing

General Manufacturing Information9H-Carbazole, 9-ethyl-3-nitro-: ACTIVE

Applications

Uses9-Ethyl-3-nitrocarbazole can be prepared from 9-ethyl carbazole via nitration. Its crystals exhibit triclinic crystal system.

General Description9-Ethyl-3-nitrocarbazole can be prepared from 9-ethyl carbazole via nitration. Its crystals exhibit triclinic crystal system.

Upstream & downstream products

Suppliers54 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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