Basic information
- CAS
20724-56-5- Standard SMILES
O=C(O)c1cc(Cl)no1- InChIKey
IDKGQUZZCFRJHC-UHFFFAOYSA-N- Molecular formula
- C4H2ClNO3
- Average molar mass
- 147.51 g/mol
- Monoisotopic mass
- 146.9723206
Names & identifiers
- Preferred name
- 5-Isoxazolecarboxylic acid, 3-chloro-
- IUPAC
- 3-chloro-1,2-oxazole-5-carboxylic acid
- English name
- 3-chloro-5-isoxazolecarboxylic acid(SALTDATA: FREE)
- Molecular formula
- C4H2ClNO3
- Molecular weight
- 147.52
Names & synonyms
3-Chloroisoxazole-5-carboxylic acid20724-56-53-chloro-1,2-oxazole-5-carboxylic acid5-ISOXAZOLECARBOXYLIC ACID, 3-CHLORO-BRN 0879290DTXSID80174798RefChem:536493DTXCID6097289854-697-93-Chloro-5-isoxazolecarboxylic acidMFCD01716783SCHEMBL6050354
Show more names
3-chloro-5-isoxazolecarboxylic acid(SALTDATA: FREE)
IDKGQUZZCFRJHC-UHFFFAOYSA-N3-Chloroisoxazole-5-carboxylicacidALBB-014179SBB074354STL259768AKOS005174283SY148429VS-09243
Database identifiers
- CAS
20724-56-5- PubChem CID
- 30240
- DTXSID
DTXSID80174798- EC Number
- 854-697-9
- Nikkaji
- J1.184.383B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 342.6 · 342.6±22.0 °C(Predicted)
- Density
- 1.64 · 1.640±0.06 g/cm3(Predicted)
- pka
- 1.92 · 1.92±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HazardClass
- IRRITANT
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers15 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [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 18019252918 18019252918 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
誉通医药科技（苏州）有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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