5-Nitroindoline

HCID 36219
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Basic information

CAS
32692-19-6
Standard SMILES
O=[N+]([O-])c1ccc2c(c1)CCN2
InChIKey
WJQWYAJTPPYORB-UHFFFAOYSA-N
Molecular formula
C8H8N2O2
Average molar mass
164.16 g/mol
Monoisotopic mass
164.0585775

Names & identifiers

Preferred name
5-Nitroindoline
IUPAC
5-nitro-2,3-dihydro-1H-indole
English name
5-Nitroindoline
Molecular formula
C8H8N2O2
Molecular weight
164.16

Names & synonyms

5-Nitroindoline32692-19-65-nitro-2,3-dihydro-1H-indoleINDOLINE, 5-NITRO-2,3-dihydro-5-nitroindoleMFF83KNW93NSC-614455-Nitro-2,3-dihydroindoleDTXSID001863585-20-06-00253 (Beilstein Handbook Reference)RefChem:103269DTXCID10108849
Show more names
AKOS BC-08935-nitro-indolin5-nitro-1H-indoline2,3-dihydro-5-nitro-1h-indolIndolin-5-amine hydrochlorideindolin-5-amine(SALTDATA: 2HCl)
251-158-4InChI=1/C8H8N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9H,3-4HWJQWYAJTPPYORB-UHFFFAOYSA-N1H-Indole, 2,3-dihydro-5-nitro-2,3-dihydro-5-nitro-(1h)-indoleMFCD00005709MLS002693330EINECS 251-158-4

Database identifiers

CAS
32692-19-6
PubChem CID
36219
DTXSID
DTXSID00186358
ChEMBL
CHEMBL165264
UNII
MFF83KNW93
EC Number
251-158-4
Nikkaji
J236.474C

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
57.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Melting point
92 · 92-94 °C(lit.)
Boiling point
324.4 · 324.4±31.0 °C(Predicted)
Density
1.298 · 1.298±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
form
powder
pka
0.86 · 0.86±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
rtecs
NM1930000
hs_code
2933998090
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications

Uses5-Nitroindoline was used to prepare acetylated glucosylamines using the Suvorov procedure.

Upstream & downstream products

Suppliers100 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海今寅生物科技有限公司021-20986266 18019349802 · [email protected]

Related reactions

52 records
New reaction record

Compound notes

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