Basic information
- CAS
318288-78-7- Standard SMILES
O=Cc1c(C(F)(F)F)nn(-c2ccccc2)c1Cl- InChIKey
OPWVMJDFQNRXIG-UHFFFAOYSA-N- Molecular formula
- C11H6ClF3N2O
- Average molar mass
- 274.62 g/mol
- Monoisotopic mass
- 274.012075
Names & identifiers
- Preferred name
- 5-chloro-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
- IUPAC
- 5-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
- English name
- 3-trifluoromethyl-1-phenyl-1H-5-chloropyrazole-4-carbaldehyde
- Molecular formula
- C11H6ClF3N2O
- Molecular weight
- 274.63
Names & synonyms
318288-78-75-chloro-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde5-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbaldehydeMFCD007938663-trifluoromethyl-1-phenyl-1H-5-chloropyrazole-4-carbaldehydeSCHEMBL33815545-Chloro-1-phenyl-3-trifluoromethyl-1H-pyrazole-4-carbaldehyde5-chloro-1-phenyl-3-trifluoromethyl-1H-pyrazole-4-carboaldehyde5-CHLORO-4-FORMYL-1-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLESBB025335STK352279AKOS005094829
Show more names
5-chloro-3-(trifluoromethyl)-1-phenyl-1H-pyrazole-4-carbaldehyde1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-phenyl-3-(trifluoroMethyl)-
CS-00605495H-904EN300-155212W18789F065291Z3815558945-chloro-1-phenyl-3-trifluoromethyl-1H-pyrazole-4carboaldehyde5-chloro1-phenyl-3-trifluoromethyl-1H-pyrazole-4-carboaldehyde
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Boiling point
- 338.6 · 338.6±42.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- -7.76 · -7.76±0.10(Predicted)
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]；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%)
Chemistry & industry
Suppliers13 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海源香科生物科技有限公司13248186658
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
8 records
Compound notes
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