Basic information
- CAS
117889-76-6- Standard SMILES
N#Cc1c(OCCO)n[nH]c1N- InChIKey
OFVVLLBVZJIOST-UHFFFAOYSA-N- Molecular formula
- C6H8N4O2
- Average molar mass
- 168.15 g/mol
Names & identifiers
- Preferred name
- 5-amino-3-(2-hydroxyethoxy)-1H-pyrazole-4-carbonitrile
- IUPAC
- 5-amino-3-(2-hydroxyethoxy)-1H-pyrazole-4-carbonitrile
- English name
- 1H-Pyrazole-4-carbonitrile, 3-amino-5-(2-hydroxyethoxy)-
- Molecular formula
- C6H8N4O2
- Molecular weight
- 168.15
Names & synonyms
5-amino-3-(2-hydroxyethoxy)-1H-pyrazole-4-carbonitrile117889-76-6RefChem:532235836-259-93-amino-5-(2-hydroxyethoxy)-1H-Pyrazole-4-carbonitrileSCHEMBL174767OFVVLLBVZJIOST-UHFFFAOYSA-NSEA88976AKOS0001408451012316-46-9DB-294117DB-296003
Show more names
1H-Pyrazole-4-carbonitrile, 3-amino-5-(2-hydroxyethoxy)-
EN300-45101G57018Z255150358
Database identifiers
- CAS
117889-76-6- PubChem CID
- 16228909
- EC Number
- 836-259-9
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 581.9 · 581.9±50.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 10.1 · 10.10±0.50(Predicted)
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H332-H334-H335-H302-H319-H312
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P285-P304+P341-P342+P311-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, 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
- Danger
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H315-H332-H334-H335-H302-H319-H312
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P285-P304+P341-P342+P311-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
1 records
Compound notes
Loading…