Basic information
- CAS
41230-51-7- Standard SMILES
Cc1noc(N)c1[N+](=O)[O-]- InChIKey
NRYUCAPNMJIWFE-UHFFFAOYSA-N- Molecular formula
- C4H5N3O3
- Average molar mass
- 143.1 g/mol
- Monoisotopic mass
- 143.03309103
Names & identifiers
- Preferred name
- 5-Amino-3-methyl-4-nitroisoxazole
- IUPAC
- 3-methyl-4-nitro-1,2-oxazol-5-amine
- English name
- 3-Methyl-4-nitroisoxazol-5-amine
- Molecular formula
- C4H5N3O3
- Molecular weight
- 143.1
Names & synonyms
5-Amino-3-methyl-4-nitroisoxazoleRefChem:532285640-863-63-methyl-4-nitroisoxazol-5-amine41230-51-73-methyl-4-nitro-1,2-oxazol-5-amineMFCD00067955NSC152538SCHEMBL2107620DTXSID103026633-methyl-4-nitro-isoxazol-5-amine3-methyl-4-nitroisoxazole-5-ylamine
Show more names
BUTTPARK 94\04-095-Isoxazolamine, 3-methyl-4-nitro-5-Isoxazolamine,3-methyl-4-nitro-(9CI)3-Methyl-4-nitroisoxazol-5-amine, 3-Methyl-4-nitro-1,2-oxazol-5-amine
SBB086273AKOS005141939NSC-152538CS-0282907EN300-175493F689327
Database identifiers
- CAS
41230-51-7- PubChem CID
- 289989
- DTXSID
DTXSID10302663- EC Number
- 640-863-6
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 154 · 154-156°C
- Boiling point
- 334.4 · 334.4±37.0 °C(Predicted)
- Density
- 1.492 · 1.492±0.06 g/cm3(Predicted)
- pka
- -4.14 · -4.14±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P280
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 22 · 22-36/37/39
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers8 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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