Basic information
- CAS
68282-47-3- Standard SMILES
O=Cc1cnc(-c2ccccc2)[nH]1- InChIKey
LFKJFIOTRHYONM-UHFFFAOYSA-N- Molecular formula
- C10H8N2O
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.06366288
Names & identifiers
- Preferred name
- 2-Phenyl-1H-imidazole-4-carbaldehyde
- IUPAC
- 2-phenyl-1H-imidazole-5-carbaldehyde
- English name
- 2-Phenyl-1H-imidazole-4-carboxaldehyde
- Molecular formula
- C10H8N2O
- Molecular weight
- 172.18
Names & synonyms
2-Phenyl-1H-imidazole-4-carbaldehyde68282-47-3DTXSID10393450RefChem:265196DTXCID003443102-phenyl-1H-imidazole-5-carbaldehydeMFCD001737292-phenyl-4-formylimidazole1H-Imidazole-4-carboxaldehyde, 2-phenyl-2-PHENYL-1H-IMIDAZOLE-4-CARBOXALDEHYDE2-PHENYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE4-formyl-2-phenylimidazole
Show more names
4(5)-FORMYL-2-PHENYLIMIDAZOLE4-Formyl-2-phenyl-1H-imidazole2-PHENYLIMIDAZOLE-4-CARBOXALDEHYDE2-Phenyl-3H-imidazole-4-carboxaldehyde
SCHEMBL474098SCHEMBL2293472SCHEMBL23248242-phenylimidazole-4-carbaldehyde2-Penyl-4-imidazolecarboxaldehyde2-phenyl-4-imidazole carbaldehydeLFKJFIOTRHYONM-UHFFFAOYSA-N2-Phenyl-4-imidazolecarboxaldehyde
Database identifiers
- CAS
68282-47-3- PubChem CID
- 3539090
- DTXSID
DTXSID10393450- EC Number
- 175-727-0
- Nikkaji
- J2.407.006I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 167 · 167-169°C
- Boiling point
- 418.9 · 418.9±18.0 °C(Predicted)
- Density
- 1.248 · 1.248
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 11.23 · 11.23±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Risk Statements
- 21 · 21/22-36
- Safety Statements
- 22 · 22-36/37/39-26
- HazardClass
- IRRITANT
- HS Code
- 2933299090 · 2933299090
Safety & regulation
GHS classification
GHS Classification
Warning
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2933299090
- risk_code
- 21/22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-36/37/39-26
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers41 total
上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
重庆张邦医药科技有限责任公司028-84252981 18583719936 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
Related reactions
1 records
Compound notes
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