Basic information
- CAS
857801-04-8- Standard SMILES
O=C(O)Cn1ncc2ccc([N+](=O)[O-])cc21- InChIKey
PDPCLJQBZJYUNV-UHFFFAOYSA-N- Molecular formula
- C9H7N3O4
- Average molar mass
- 221.17 g/mol
- Monoisotopic mass
- 221.04365571
Names & identifiers
- Preferred name
- 2-(6-nitro-1H-indazol-1-yl)acetic acid
- IUPAC
- 2-(6-nitroindazol-1-yl)acetic acid
- English name
- 2-(6-nitro-1H-indazol-1-yl)acetic acid
- Molecular formula
- C9H7N3O4
- Molecular weight
- 221.17
Names & synonyms
2-(6-nitro-1H-indazol-1-yl)acetic acid857801-04-8RefChem:459269107-813-02-(6-nitroindazol-1-yl)acetic acidMFCD09805059(6-nitro-1H-indazol-1-yl)acetic acidHJB80104AKOS0001635722-(6-nitro-1H-indazol-1-yl)aceticacidBS-46912DB-108157
Show more names
1H-Indazole-1-acetic acid, 6-nitro-
EN300-40032E84144AB01000454-01F828074Z285172036
Database identifiers
- CAS
857801-04-8- PubChem CID
- 20121146
- EC Number
- 107-813-0
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 475.8 · 475.8±25.0 °C(Predicted)
- Density
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- pka
- 3.53 · 3.53±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers9 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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