Basic information
- CAS
21460-88-8- Standard SMILES
Cc1cc(Cl)c(C(=O)O)cc1Cl- InChIKey
KZEKKSQWQXNSBB-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O2
- Average molar mass
- 205.03 g/mol
- Monoisotopic mass
- 203.97448479
Names & identifiers
- Preferred name
- 2,5-Dichloro-4-methylbenzoic acid
- IUPAC
- 2,5-dichloro-4-methylbenzoic acid
- English name
- 2,5-Dichloro-4-methylbenzoic acid
- Molecular formula
- C8H6Cl2O2
- Molecular weight
- 205.04
Names & synonyms
2,5-DICHLORO-4-METHYLBENZOIC ACID21460-88-8MFCD244798962,5-Dichloro-4-methylbenzoicacid2,5-dichloro-4-methyl-benzoic acidSCHEMBL8340285DTXSID00175742KZEKKSQWQXNSBB-UHFFFAOYSA-NCL9569Benzoic acid, 2,5-dichloro-4-methyl-AS-93435SY244103
Show more names
DB-392089CS-0161511EN300-1276354F500096
Database identifiers
- CAS
21460-88-8- PubChem CID
- 30640
- DTXSID
DTXSID00175742- Nikkaji
- J83.076C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Boiling point
- 327.3 · 327.3±37.0 °C(Predicted)
- Density
- 1.442 · 1.442±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 2.76 · 2.76±0.25(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers20 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
安徽合诺生物科技有限公司18455579438
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
徐州睿诚致合生物医药技术有限公司15195955353 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
温州共赢化学有限公司0577-64498589 15325081899 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
2 records
Compound notes
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