Basic information
- CAS
175205-61-5- Standard SMILES
COc1ccccc1-c1nc(CCl)no1- InChIKey
ZOWLLEBVXDSRDI-UHFFFAOYSA-N- Molecular formula
- C10H9ClN2O2
- Average molar mass
- 224.64 g/mol
- Monoisotopic mass
- 224.03525521
Names & identifiers
- Preferred name
- 3-(Chloromethyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
- IUPAC
- 3-(chloromethyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
- English name
- 3-(CHLOROMETHYL)-5-(2-METHOXYPHENYL)-1,2,4-OXADIAZOLE
- Molecular formula
- C10H9ClN2O2
- Molecular weight
- 224.64
Names & synonyms
3-(Chloromethyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole175205-61-5DTXSID40383884RefChem:92585DTXCID50334908887-470-8MFCD000849651,2,4-Oxadiazole, 3-(chloromethyl)-5-(2-methoxyphenyl)-SCHEMBL379161ZOWLLEBVXDSRDI-UHFFFAOYSA-N1-[3-(Chloromethyl)-1,2,4-oxadiazol-5-yl]-2-methoxybenzeneSBB096726
Show more names
2-[3-(Chloromethyl)-1,2,4-oxadiazol-5-yl]anisole, 1-[3-(Chloromethyl)-1,2,4-oxadiazol-5-yl]-2-methoxybenzene
STL097617AKOS005198993AS-8928AC-16380EN300-7379369F2240271-[3-(chloromethyl)(1,2,4-oxadiazol-5-yl)]-2-methoxybenzene2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenyl methyl ether
Database identifiers
- CAS
175205-61-5- PubChem CID
- 2797128
- DTXSID
DTXSID40383884- EC Number
- 887-470-8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 48.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 65 · 65-67°C
- Boiling point
- 365.2 · 365.2±52.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- pka
- -2.74 · -2.74±0.44(Predicted)
- CAS DataBase Reference
- 175205 · 175205-61-5(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · 3261
- Hazard Note
- Corrosive
- 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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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%)
Safety data
- ridadr
- 3261
- hs_code
- 2934999090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- Hazard statements
- H314
- Precautionary statements
- P280
Chemistry & industry
Suppliers18 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]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [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]
Related reactions
4 records
Compound notes
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