Basic information
- CAS
1201-68-9- Standard SMILES
ClCc1noc(-c2ccccc2)n1- InChIKey
VEIXFEJMHJPUBS-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O
- Average molar mass
- 194.62 g/mol
- Monoisotopic mass
- 194.02469052
Names & identifiers
- Preferred name
- 3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole
- IUPAC
- 3-(chloromethyl)-5-phenyl-1,2,4-oxadiazole
- English name
- 3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole
- Molecular formula
- C9H7ClN2O
- Molecular weight
- 194.62
Names & synonyms
3-(chloromethyl)-5-phenyl-1,2,4-oxadiazoleDTXSID50306988RefChem:494661DTXCID50258115673-111-01201-68-93-chloromethyl-5-phenyl-1,2,4-oxadiazoleMFCD000849681,2,4-Oxadiazole, 3-(chloromethyl)-5-phenyl-3-chloromethyl-5-phenyl-[1,2,4]oxadiazoleNSC184821SCHEMBL120396
Show more names
BUTTPARK 37\08-30TIMTEC-BB SBB0055933-(CHLOROMETHYL)-5-PHENYL-1,2,4-OXADIAZOLE 98%3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole, tech
VEIXFEJMHJPUBS-UHFFFAOYSA-NSTR07631SBB005593AKOS001200123AB03171NSC-184821BP-20297SY004297
Database identifiers
- CAS
1201-68-9- PubChem CID
- 302154
- DTXSID
DTXSID50306988- EC Number
- 673-111-0
- Nikkaji
- J1.859.732B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 64 °C · 64 °C
- Boiling point
- 316.9 · 316.9±44.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- pka
- -2 · -2+-.0.32(Predicted)
- CAS DataBase Reference
- 1201 · 1201-68-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- C,Xn
- Risk Statements
- 36 · 36/37/38-34-22
- Safety Statements
- 26 · 26-36/37/39-45
- Hazard Note
- Corrosive
- HS Code
- 2934999090 · 2934999090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95%)
Safety data
- hs_code
- 2934999090
- risk_code
- 36/37/38-34-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C,Xn
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers31 total
宁波振岳医药科技有限公司19817745290 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [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027-67849912 · [email protected]
上海瀚思化工有限公司17717618050 · [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]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海诚合医药科技有限公司021-021-54382182 18601603956 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
31 records
Compound notes
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