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Basic information
- CAS
138716-44-6- Standard SMILES
c1csc(-c2ccno2)c1- InChIKey
KNRAAHWCKJMGNF-UHFFFAOYSA-N- Molecular formula
- C7H5NOS
- Average molar mass
- 151.19 g/mol
- Monoisotopic mass
- 151.00918496
Names & identifiers
- Preferred name
- 5-(Thiophen-2-YL)-1,2-oxazole
- IUPAC
- 5-thiophen-2-yl-1,2-oxazole
- English name
- Isoxazole, 5-(2-thienyl)- (9CI)
- Molecular formula
- C7H5NOS
- Molecular weight
- 151.19
Names & synonyms
138716-44-65-THIOPHEN-2-YL-ISOXAZOLE5-(THIOPHEN-2-YL)-1,2-OXAZOLE5-(2-THIENYL)ISOXAZOLE5-thiophen-2-yl-1,2-oxazoleIsoxazole, 5-(2-thienyl)- (9CI)MFCD06409150ISOXAZOLE, 5-(2-THIENYL)-5-thiophene-2-yl-isoxazole5-(thiophen-2-yl)isoxazoleSCHEMBL1173378SCHEMBL2933828
Show more names
INDIP-0035-(2-Thienyl)isoxasole5-(thien-2-yl)isoxazole3-(Thiophen-2-yl)isoxazol5-(2-Thienyl)isoxazole,97%5-(2-Thienyl)isoxazole, 97%
SCHEMBL4283421KNRAAHWCKJMGNF-UHFFFAOYSA-NAKOS006292835PB17353AS-58650CS-0055267P10354F857225
Database identifiers
- CAS
138716-44-6- PubChem CID
- 12049986
- EC Number
- 691-873-2
- Nikkaji
- J2.606.452J
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 280 ℃ · 280℃
- Density
- 1.257 · 1.257
- Flash point
- 123 ℃ · 123℃
- refractive index
- 1.613 · 1.6130
- pka
- -2.48 · -2.48±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Safety data
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers15 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
扬州思域化工有限公司0514-87325867 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海拓朴医药科技有限公司+86 (21) 5196-9732
HBCChem, Inc.+1-510-219-6317 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
6 records
Compound notes
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