Basic information
- CAS
127406-08-0- Standard SMILES
O=Cc1ccc(-c2cnccn2)cc1- InChIKey
QEJFDPPZUXABRM-UHFFFAOYSA-N- Molecular formula
- C11H8N2O
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.06366288
Names & identifiers
- Preferred name
- 4-(Pyrazin-2-yl)benzaldehyde
- IUPAC
- 4-pyrazin-2-ylbenzaldehyde
- English name
- 4-Pyrazin-2-ylbenzaldehyde
- Molecular formula
- C11H8N2O
- Molecular weight
- 184.19
Names & synonyms
4-(Pyrazin-2-yl)benzaldehyde127406-08-04-Pyrazin-2-ylbenzaldehyde4-(2-Pyrazinyl)benzenecarbaldehydeBenzaldehyde, 4-(2-pyrazinyl)-MFCD026841094-(2-pyrazinyl)benzaldehyde4-(Pyrazin-2-yl)benzenecarboxaldehyde4-pyrazinylbenzaldehydeSCHEMBL67504-pyrazin-2-yl-benzaldehydeDTXSID70397353
Show more names
4-(pyridineazine-2-yl)benzenemethylaldehyde
QEJFDPPZUXABRM-UHFFFAOYSA-NAR2036SBB090161AKOS005070834SY106811CS-0170959EN300-6432526Z-0709
Database identifiers
- CAS
127406-08-0- PubChem CID
- 3853519
- DTXSID
DTXSID70397353- EC Number
- 184-756-8
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 84 · 84-87°
- Boiling point
- 347.2 · 347.2±32.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 0.23 · 0.23±0.10(Predicted)
- Appearance
- Light yellow to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2933998090
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H302-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers39 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
16 records
Compound notes
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