Basic information
- CAS
294877-41-1- Standard SMILES
O=Cc1cnn(-c2ccc(Br)cc2)c1- InChIKey
CSVXEJDVTQWKNV-UHFFFAOYSA-N- Molecular formula
- C10H7BrN2O
- Average molar mass
- 251.08 g/mol
- Monoisotopic mass
- 249.97418
Names & identifiers
- Preferred name
- 1-(4-bromophenyl)-1H-pyrazole-4-carbaldehyde
- IUPAC
- 1-(4-bromophenyl)pyrazole-4-carbaldehyde
- English name
- 1-(4-Bromophenyl)-1H-pyrazole-4-carbaldehyde
- Molecular formula
- C10H7BrN2O
- Molecular weight
- 251.08
Names & synonyms
1-(4-bromophenyl)-1H-pyrazole-4-carbaldehyde294877-41-1DTXSID90356164RefChem:224871DTXCID00307223966-219-71-(4-bromophenyl)pyrazole-4-carbaldehydeMFCD034269791-(4-Bromo-phenyl)-1H-pyrazole-4-carbaldehyde1H-Pyrazole-4-carboxaldehyde, 1-(4-bromophenyl)-1-(4-Bromophenyl)-1H-pyrazole-4-carboxaldehydeSCHEMBL18586366
Show more names
ULA87741SBB100880AKOS000187505AS-5827SY174653CS-0106627EN300-44120D76659
Database identifiers
- CAS
294877-41-1- PubChem CID
- 820140
- DTXSID
DTXSID90356164- EC Number
- 966-219-7
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 130 · 130-133 °C
- Boiling point
- 356.5 · 356.5±22.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- solid
- pka
- -2.85 · -2.85±0.10(Predicted)
- Appearance
- Yellow to brown Solid
- InChI
- 1S/C10H7BrN2O/c11-9-1-3-10(4-2-9)13-6-8(7-14)5-12-13/h1-7H
- InChIKey
- CSVXEJDVTQWKNV-UHFFFAOYSA-N
- SMILES
- Brc1ccc(cc1)-n2cc(C=O)cn2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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, 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
- wgk
- 3
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers9 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
海南骅翔医药科技有限公司18389863383 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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