Basic information
- CAS
19094-75-8- Standard SMILES
Cc1cccc(Cl)c1OCC(=O)O- InChIKey
WHLKFTSLSDHFMU-UHFFFAOYSA-N- Molecular formula
- C9H9ClO3
- Average molar mass
- 200.62 g/mol
- Monoisotopic mass
- 200.0240218
Names & identifiers
- Preferred name
- 2-(2-Chloro-6-methylphenoxy)acetic acid
- IUPAC
- 2-(2-chloro-6-methylphenoxy)acetic acid
- English name
- 2-Chloro-6-methylphenoxyacetic acid
- Molecular formula
- C9H9ClO3
- Molecular weight
- 200.62
Names & synonyms
19094-75-82-(2-chloro-6-methylphenoxy)acetic acid6-Chloro-o-tolyloxyacetic acidRefChem:1060842242-814-02-Chloro-6-methylphenoxyacetic acid(2-Chloro-6-methylphenoxy)acetic acidMFCD00270098Acetic acid, 2-(2-chloro-6-methylphenoxy)-2-Methyl-6-chlorophenoxyacetic acidAcetic acid, (2-chloro-6-methylphenoxy)-Acetic acid, [(6-chloro-O-tolyl)oxy]-
Show more names
Acetic acid, ((6-chloro-o-tolyl)oxy)-EINECS 242-814-0NSC190539NSC 1905392-(2-Chloro-6-methyl-phenoxy)acetic acidSCHEMBL1887188DTXSID1041186WHLKFTSLSDHFMU-UHFFFAOYSA-N
Database identifiers
- CAS
19094-75-8- PubChem CID
- 87930
- DTXSID
DTXSID1041186- EC Number
- 242-814-0
- Nikkaji
- J127.124E
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 107.5 · 107.5-109 °C(Solv: benzene (71-43-2))
- Boiling point
- 324.2 · 324.2±27.0 °C(Predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3.11 · 3.11±0.10(Predicted)
- color
- White to Off-White
- EPA Substance Registry System
- (2-Chloro-6-methylphenoxy)acetic acid (19094-75-8)
Chemistry & industry
Applications
Uses2-(2-Chloro-6-methylphenoxy)acetic Acid could be useful as an anticonvulsant and analgesic.
Suppliers24 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
谱尼生物医药科技（上海）有限公司021-021-64851999-6515-6515 13817808647 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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