Basic information
- Standard SMILES
Cc1nnc(-c2ccc(Br)cc2)o1- InChIKey
PQSCYRJMPVYVKU-UHFFFAOYSA-N- Molecular formula
- C9H7BrN2O
- Average molar mass
- 239.07 g/mol
- Monoisotopic mass
- 237.97417494
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-5-methyl-1,3,4-oxadiazole
- IUPAC
- 2-(4-bromophenyl)-5-methyl-1,3,4-oxadiazole
- English name
- 2-(4-Bromophenyl)-5-methyl-1,3,4-oxadiazole
- Molecular formula
- C9H7BrN2O
- Molecular weight
- 239.07
Names & synonyms
2-(4-bromophenyl)-5-methyl-1,3,4-oxadiazole41421-03-8DTXSID70337254RefChem:252030DTXCID602883422-(4-Bromo-phenyl)-5-methyl-[1,3,4]oxadiazole1,3,4-Oxadiazole, 2-(4-bromophenyl)-5-methyl-MFCD004916202-(4-Bromophenyl)-5-methyl-[1,3,4]oxadiazoleSCHEMBL930622SBB099042AKOS008967295
Show more names
2-(4-bromophenyl)-5-methyl-1,3,4-oxadiazole(SALTDATA: FREE)
AS-8552PB24667SY122980DB-070187CS-0038499EN300-79252P10128F308810
Database identifiers
- CAS
41421-03-8- PubChem CID
- 540693
- DTXSID
DTXSID70337254- Nikkaji
- J3.047.698K
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 118 · 118-119 °C
- Boiling point
- 327.9 · 327.9±44.0 °C(Predicted)
- Density
- 1.528 · 1.528±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- -3.96 · -3.96±0.32(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers26 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
湖南氩氡医药科技有限公司13764359345 · [email protected]
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Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
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四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
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上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
7 records
Linked notes
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