Basic information
- CAS
186830-98-8- Standard SMILES
O=C(O)c1ccc(-c2cc(Cl)ccc2Cl)o1- InChIKey
ATAZLMGGQQLRBC-UHFFFAOYSA-N- Molecular formula
- C11H6Cl2O3
- Average molar mass
- 257.07 g/mol
- Monoisotopic mass
- 255.9693994
Names & identifiers
- Preferred name
- 5-(2,5-Dichlorophenyl)-2-furoic acid
- IUPAC
- 5-(2,5-dichlorophenyl)furan-2-carboxylic acid
- English name
- 5-(2 5-Dichlorophenyl)-2-furoic acid 9&
- Molecular formula
- C11H6Cl2O3
- Molecular weight
- 257.07
Names & synonyms
186830-98-85-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDDTXSID10352981RefChem:101574DTXCID503040455-(2,5-dichlorophenyl)furan-2-carboxylic acidMFCD02213561CHEMBL3704372-Furancarboxylic acid, 5-(2,5-dichlorophenyl)-5-(2 5-DICHLOROPHENYL)-2-FUROIC ACID 92evmCBMicro_040669
Show more names
5-(2 5-Dichlorophenyl)-2-furoic acid 9&
5-(2,5-Dichlorophenyl)-2-furancarboxylic acidR6K2TVB66USCHEMBL12670456HMS3604C12KUC100887NBBL025653BDBM50175451EBC-03622
Database identifiers
- CAS
186830-98-8- PubChem CID
- 736259
- DTXSID
DTXSID10352981- ChEMBL
CHEMBL370437- UNII
- R6K2TVB66U
- EC Number
- 624-575-8
- Nikkaji
- J2.640.845H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 233 · 233-237 °C (lit.)
- form
- solid
- InChI
- 1S/C11H6Cl2O3/c12-6-1-2-8(13)7(5-6)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
- InChIKey
- ATAZLMGGQQLRBC-UHFFFAOYSA-N
- SMILES
- OC(=O)c1ccc(o1)-c2cc(Cl)ccc2Cl
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
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)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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