Basic information
- CAS
61861-88-9- Standard SMILES
Cc1c[nH]c2ccc([N+](=O)[O-])cc12- InChIKey
LPFQDJBJGFUMRG-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 3-methyl-5-nitro-1H-indole
- IUPAC
- 3-methyl-5-nitro-1H-indole
- English name
- 3-Methyl-5-nitro-1H-indole
- Molecular formula
- C9H8N2O2
- Molecular weight
- 176.17
Names & synonyms
3-Methyl-5-nitro-1H-indole61861-88-9DTXSID701346890RefChem:503979DTXCID701775596836-658-83-Methyl-5-nitroindole5-Nitro-3-methylindoleMFCD00277073SCHEMBL3298386AKOS028111550(3-methyl-1H-indol-5-yl)azinic acid
Show more names
3-methyl-5-nitro-1H-indole - [M24574]
AT22651SB14930CS-0415942EN300-202716Q63409493Z12553793801H-Indole, 3-methyl-5-nitro-A936794
Database identifiers
- CAS
61861-88-9- PubChem CID
- 600587
- DTXSID
DTXSID701346890- EC Number
- 836-658-8
- Nikkaji
- J46.136I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 128 ° · 128°
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers15 total
武汉誉祥医药科技有限公司13971275651 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Aladdin Scientific[email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
济南新合源医药科技有限公司13806405245 18560110739 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
济南丸德医药科技有限公司15063369667 · [email protected]
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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