Basic information
- CAS
38692-69-2- Standard SMILES
O=C(O)Cc1cc(Cl)cc(Cl)c1O- InChIKey
NKNKBVVUEYMSAJ-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O3
- Average molar mass
- 221.03 g/mol
- Monoisotopic mass
- 219.9693994
Names & identifiers
- Preferred name
- 2-(3,5-Dichloro-2-hydroxyphenyl)acetic acid
- IUPAC
- 2-(3,5-dichloro-2-hydroxyphenyl)acetic acid
- English name
- Benzeneacetic acid, 3,5-dichloro-2-hydroxy-
- Molecular formula
- C8H6Cl2O3
- Molecular weight
- 221.04
Names & synonyms
2-(3,5-dichloro-2-hydroxyphenyl)acetic acid38692-69-2MFCD22005340Benzeneacetic acid, 3,5-dichloro-2-hydroxy-(3,5-dichloro-2-hydroxyphenyl)acetic acidSCHEMBL10876715NKNKBVVUEYMSAJ-UHFFFAOYSA-N3,5-Dichloro-2-hydroxyphenylacetic Acid3,5-Dichloro-2-hydroxybenzeneacetic acidBS-45069SY4913822-(3,5-dichloro-2-hydroxyphenyl)aceticacid
Show more names
2-(3,5-dichloro-2-hydroxy-phenyl)acetic acidEN300-380665F74469F864121
Database identifiers
- CAS
38692-69-2- PubChem CID
- 70463293
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 361.5 · 361.5±37.0 °C(Predicted)
- Density
- 1.587 · 1.587±0.06 g/cm3(Predicted)
- pka
- 3.82 · 3.82±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Suppliers11 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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