Basic information
- CAS
4415-11-6- Standard SMILES
Cc1onc(-c2c(F)cccc2Cl)c1C(N)=O- InChIKey
PPKCMGUTHICRLU-UHFFFAOYSA-N- Molecular formula
- C11H8ClFN2O2
- Average molar mass
- 254.64 g/mol
- Monoisotopic mass
- 254.0258334
Names & identifiers
- Preferred name
- 3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
- IUPAC
- 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
- English name
- 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamide
- Molecular formula
- C11H8ClFN2O2
- Molecular weight
- 254.64
Names & synonyms
4415-11-63-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamideDTXSID50371459RefChem:273612DTXCID203224933-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamideMFCD00173954Maybridge1_006010SCHEMBL7184918SCHEMBL10332625HMS558J04SBB101470
Show more names
BUTTPARK 98\12-253-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXAMIDE4-Isoxazolecarboxamide, 3-(2-chloro-6-fluorophenyl)-5-methyl-3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamide97%3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamide 97%3-(2-Chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylic acid amide
AKOS015992340SDCCGMLS-0066197.P001DB-0154192C-097F0082403-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxamide3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxamide
Database identifiers
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Melting point
- 127 · 127-129°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- Hazard Note
- Irritant
- HS Code
- 2934999090 · 2934999090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/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%)
Safety data
- hs_code
- 2934999090
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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