Basic information
- CAS
303104-08-7- Standard SMILES
C/C(=N\NC(=O)c1cc(-c2ccc(C)o2)[nH]n1)c1ccc(Br)cc1- InChIKey
RTCMCXYJWZJXJO-YBFXNURJSA-N- Molecular formula
- C17H15BrN4O2
- Average molar mass
- 387.2 g/mol
- Monoisotopic mass
- 386.03784
Names & identifiers
- Preferred name
- N'-(1-(4-Bromophenyl)ethylidene)-3-(5-ME-2-furyl)-1H-pyrazole-5-carbohydrazide
- IUPAC
- N-[(E)-1-(4-bromophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
- English name
- N'-[1-(4-bromophenyl)ethylidene]-3-(5-methyl-2-furyl)-1H-pyrazole-5-carbohydrazide
- Molecular formula
- C17H15BrN4O2
- Molecular weight
- 387.23
Names & synonyms
303104-08-7RefChem:819998N'-(1-(4-Bromophenyl)ethylidene)-3-(5-ME-2-furyl)-1H-pyrazole-5-carbohydrazide652-440-3N'-(1-(4-Bromophenyl)ethylidene)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbohydrazideN-[(E)-1-(4-bromophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamideAKOS001635511AF-399/13806123SR-01000108966SR-01000108966-1N'-[(E)-1-(4-bromophenyl)ethylidene]-3-(5-methyl-2-furyl)-1H-pyrazole-5-carbohydrazideN'-[1-(4-bromophenyl)ethylidene]-3-(5-methyl-2-furyl)-1H-pyrazole-5-carbohydrazide
Database identifiers
- CAS
303104-08-7- PubChem CID
- 5437375
- EC Number
- 652-440-3
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Density
- 1.524 · 1.524±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.602 · 11.602±0.46(predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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