Basic information
- CAS
118183-92-9- Standard SMILES
Cc1nc(-c2ccc(Br)cc2)no1- InChIKey
YWBIOYGLRGIJRT-UHFFFAOYSA-N- Molecular formula
- C9H7BrN2O
- Average molar mass
- 239.07 g/mol
- Monoisotopic mass
- 237.97417494
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole
- IUPAC
- 3-(4-bromophenyl)-5-methyl-1,2,4-oxadiazole
- English name
- 3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole
- Molecular formula
- C9H7BrN2O
- Molecular weight
- 239.07
Names & synonyms
3-(4-bromophenyl)-5-methyl-1,2,4-oxadiazole118183-92-9DTXSID50356408RefChem:274414DTXCID20307467MFCD00487341SCHEMBL11700854-(5-Methyl-1,2,4-oxadiazol-3-yl)bromobenzeneAKOS015835650SY025145CS-0035520EN300-79237
Show more names
1,2,4-Oxadiazole, 3-(4-bromophenyl)-5-methyl-1-Bromo-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzene
FT-07117443-(4-bromophenyl)-5-methySBB099046DB-030641ST509922663-(4-bromophenyl)-5-methyl-1,2,4oxadiazole3-(4-bromo-phenyl)-5-methyl-[1,2,4]oxadiazoleAG-670/34456001
Database identifiers
- CAS
118183-92-9- PubChem CID
- 823560
- DTXSID
DTXSID50356408
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 98 °C · 98 °C
- Boiling point
- 327.9 · 327.9±44.0 °C(Predicted)
- Density
- 1.528 · 1.528±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -0.5 · -0.50±0.25(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 5 · GHS05, GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-37/38-41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 3 · 3
- Hazard Note
- Harmful
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety data
- wgk
- 3
- hs_code
- 2934999090
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05, GHS07
- hazard_code
- Xn
- hazard_note
- Harmful
- safety_code
- 26-39
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Suppliers33 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
Related reactions
8 records
Compound notes
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