Basic information
- CAS
20780-78-3- Standard SMILES
O=C1Nc2c(I)cccc2C1=O- InChIKey
RLGIFVDILDEIHL-UHFFFAOYSA-N- Molecular formula
- C8H4INO2
- Average molar mass
- 273.03 g/mol
- Monoisotopic mass
- 272.92868
Names & identifiers
- Preferred name
- 7-Iodoisatin
- IUPAC
- 7-iodo-1H-indole-2,3-dione
- English name
- 7-Iodo-indole-2,3-dione
- Molecular formula
- C8H4INO2
- Molecular weight
- 273.03
Names & synonyms
20780-78-37-Iodoisatin7-iodo-1H-indole-2,3-dioneRefChem:546604835-021-17-Iodoindoline-2,3-dione1H-Indole-2,3-dione, 7-iodo-7-iodo-2,3-dihydro-1H-indole-2,3-dione7-IODO-INDOLE-2,3-DIONEMFCD012484077-Iodo Indole-2,3-dione7-iodoisatine
Show more names
7-IODO-ISATIN7-Iodoisatin,97%BUTTPARK 89\07-56
7-Iodoindole-2,3-dione7-Iodo-2,3-indolinedioneSCHEMBL505703DTXSID50398722RLGIFVDILDEIHL-UHFFFAOYSA-N7-Iodoindole-2,3-dione;7-IodoisatinAKOS000140419MB01744
Database identifiers
- CAS
20780-78-3- PubChem CID
- 4043705
- DTXSID
DTXSID50398722- EC Number
- 835-021-1
- Nikkaji
- J1.388.147B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 209 ℃ · 209℃
- Density
- 2.106 · 2.106
- storage temp.
- 2 · 2-8°C
- pka
- 8.82 · 8.82±0.20(Predicted)
- Sensitive
- Light Sensitive
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2933998090 · 2933998090
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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 2 reports by companies from 2 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. 2A (100%)；STOT SE 3 (50%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers67 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
河北凡博医药科技有限公司15588346797
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
烟台凯博医药科技有限公司0535-6385396 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
Related reactions
7 records
Compound notes
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