Basic information
- CAS
130161-46-5- Standard SMILES
O=Cc1cnc(-c2ccccc2)nc1- InChIKey
AUTGLFSBJLERMV-UHFFFAOYSA-N- Molecular formula
- C11H8N2O
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.06366288
Names & identifiers
- Preferred name
- 2-Phenylpyrimidine-5-carbaldehyde
- IUPAC
- 2-phenylpyrimidine-5-carbaldehyde
- English name
- 2-Phenylpyrimidine-5-carboxaldehyde
- Molecular formula
- C11H8N2O
- Molecular weight
- 184.19
Names & synonyms
2-Phenylpyrimidine-5-carbaldehyde130161-46-5DTXSID70356162RefChem:265395DTXCID80307221853-309-52-Phenylpyrimidine-5-carboxaldehyde2-Phenyl-5-pyrimidinecarboxaldehye5-Pyrimidinecarboxaldehyde, 2-phenyl-2-Phenyl-pyrimidine-5-carbaldehydeMFCD030859242-PHENYL-5-PYRIMIDINECARBALDEHYDE
Show more names
2-Phenylpyrimidine-5-carboxaldehyde97%2-Phenylpyrimidine-5-carboxaldehyde 97%2-phenylpyrimidine-5-carbaldehyde(SALTDATA: FREE)
ASISCHEM A03458SCHEMBL913164CHEMBL4450193SCHEMBL20448760AUTGLFSBJLERMV-UHFFFAOYSA-NCHEMBRDG-BB 4010266SBB0179891-(2-phenylpyrimidin-5-yl)methanone
Database identifiers
- CAS
130161-46-5- PubChem CID
- 820135
- DTXSID
DTXSID70356162- ChEMBL
CHEMBL4450193- EC Number
- 853-309-5
- Nikkaji
- J433.191E
Properties
Computed structural properties
- XLogP
- 1.3
- 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
- 182
Physicochemical properties
- Melting point
- 132.5 · 132.5-134°C
- storage temp.
- 2 · 2-8°C
- InChI
- InChI=1S/C11H8N2O/c14-8-9-6-12-11(13-7-9)10-4-2-1-3-5-10/h1-8H
- InChIKey
- AUTGLFSBJLERMV-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=CC=C2)=NC=C(C=O)C=N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312+P330-P305+P351+P338-P337+P313-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
- HazardClass
- IRRITANT
- HS Code
- 2933599590 · 2933599590
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
- hs_code
- 2933599590
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P280-P301+P312+P330-P305+P351+P338-P337+P313-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers35 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
Related reactions
3 records
Compound notes
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