6-bromo-2,3-dihydro-1H-indol-2-one

HCID 2773289CAS 99365-40-9
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1Cc2ccc(Br)cc2N1
InChIKey
JARRYVQFBQVOBE-UHFFFAOYSA-N
Molecular formula
C8H6BrNO
Average molar mass
212.04 g/mol
Monoisotopic mass
210.96328

Names & identifiers

Preferred name
6-bromo-2,3-dihydro-1H-indol-2-one
IUPAC
6-bromo-1,3-dihydroindol-2-one
English name
6-Bromo-1,3-dihydro-2H-indol-2-one
Molecular formula
C8H6BrNO
Molecular weight
212.04

Names & synonyms

6-BROMO-2,3-DIHYDRO-1H-INDOL-2-ONERefChem:540645800-899-76-Bromooxindole99365-40-96-bromoindolin-2-one6-Bromo-2-oxindole6-Bromo-1,3-dihydro-2H-indol-2-one6-bromo-1,3-dihydroindol-2-oneMFCD021796056-Bromo-2-indolinoneCHEMBL2381492
Show more names
B71130SWF-136-Bromoxoindole6-Bromooxoindole6-broMooxiindoleBROMOOXINDOLE (6-)6-Bromo-2-oxyndole
6-bromooxindol6-BROMO-1,3-DIHYDRO-INDOL-2-ONE6-BROMO-2-OXYINDOLE2H-INDOL-2-ONE, 6-BROMO-1,3-DIHYDRO-6-bromoxindole6-bromoindolinone6-Bromo-oxindoleMFCD22576660

Database identifiers

CAS
99365-40-9
PubChem CID
2773289
DTXSID
DTXSID90378341
ChEMBL
CHEMBL2381492
EC Number
800-899-7
Nikkaji
J2.211.139F

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
217 · 217-221 °C(lit.)
Boiling point
343.6 · 343.6±42.0 °C(Predicted)
Density
1.666 · 1.666±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
DMSo
form
Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 3 reports by companies from 3 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 CategoriesAcute Tox. 4 (66.7%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29339900
risk_code
36/37/38
Signal word
Danger
Symbol(GHS)
GHS06,GHS08,GHS09

Chemistry & industry

Applications

Uses6-Bromooxindole derivative is used in the preparation of p38alpha inhibitors as potential anti- inflammatories. It is used as an intermediate in pharmaceuticals.

Uses6-Bromo-2-Oxindole is an indolinone derivative used for the preparation of p38α inhibitors as potential antiinflammatories.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

96 records
New reaction record

Linked notes

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