Completing data — refresh the page later to see the latest
Basic information
- CAS
213598-15-3- Standard SMILES
CCOc1ccc(C(=O)O)cc1Cl- InChIKey
VGMJYTDQPWANJQ-UHFFFAOYSA-N- Molecular formula
- C9H9ClO3
- Average molar mass
- 200.62 g/mol
- Monoisotopic mass
- 200.0240218
Names & identifiers
- Preferred name
- 3-Chloro-4-ethoxybenzoic acid
- IUPAC
- 3-chloro-4-ethoxybenzoic acid
- English name
- 3-CHLORO-4-ETHOXYBENZOIC ACID 97
- Molecular formula
- C9H9ClO3
- Molecular weight
- 200.62
Names & synonyms
3-Chloro-4-ethoxybenzoic acid213598-15-3MFCD020630663-Chloro-4-ethoxybenzoicacid3-chloro-4-ethoxy-benzoic AcidSCHEMBL566498SCHEMBL11808755DTXSID803521953-Chloro-4-(ethyloxy)benzoic acidAC7774STK5203043-Chloro-4-ethoxybenzoic acid, 97%
Show more names
3-chloro-4-ethoxybenzoicaciBenzoic acid, 3-chloro-4-ethoxy-3-CHLORO-4-ETHOXYBENZOIC ACID 973-chloro-4-ethoxybenzoic acid(SALTDATA: FREE)
AKOS000113905CS-16123ST012548SY0286683-CHLORO-4-ETHOXYBENZOIC ACID 97DB-066490CS-0089307EN300-399367
Database identifiers
- CAS
213598-15-3- PubChem CID
- 720989
- DTXSID
DTXSID80352195- EC Number
- 885-230-7
- Nikkaji
- J865.124H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 211 · 211-215 °C (lit.)
- Boiling point
- 317.1 · 317.1±22.0 °C(Predicted)
- Density
- 1.299 · 1.299±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 4.12 · 4.12±0.10(Predicted)
- form
- solid
- color
- White to off-white
- InChI
- 1S/C9H9ClO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5H,2H2,1H3,(H,11,12)
- InChIKey
- VGMJYTDQPWANJQ-UHFFFAOYSA-N
- SMILES
- CCOc1ccc(cc1Cl)C(O)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P302+P352-P305+P351+P338-P362+P364
Chemistry & industry
Suppliers30 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [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]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
上海尊理加生命科技有限公司
Related reactions
4 records
Compound notes
Loading…