Basic information
- CAS
588-20-5- Standard SMILES
Cc1cc(OCC(=O)O)ccc1Cl- InChIKey
FBGYNJKXMKWETB-UHFFFAOYSA-N- Molecular formula
- C9H9ClO3
- Average molar mass
- 200.62 g/mol
- Monoisotopic mass
- 200.0240218
Names & identifiers
- Preferred name
- 2-(4-Chloro-3-methylphenoxy)acetic acid
- IUPAC
- 2-(4-chloro-3-methylphenoxy)acetic acid
- English name
- (4-Chloro-3-methyl-phenoxy)-acetic acid
- Molecular formula
- C9H9ClO3
- Molecular weight
- 200.62
Names & synonyms
588-20-52-(4-chloro-3-methylphenoxy)acetic acidRefChem:457229806-070-6(4-Chloro-3-methyl-phenoxy)-acetic acid(4-Chloro-3-methylphenoxy)acetic acidMFCD01671841Acetic acid, (4-chloro-3-methylphenoxy)-Acetic acid, ((4-chloro-m-tolyl)oxy)-CHEMBL177299DTXSID102075233-methyl-4-chlorophenoxyacetic acid
Show more names
Acetic acid, 2-(4-chloro-3-methylphenoxy)-2-(4-chloro-3-methyl-phenoxy)ethanoic acid(4-chloro-3-methylphenoxy)acetic acid(SALTDATA: FREE)
AKOS0001145582-(4-chloro-3-methyl-phenoxy)acetic acidCS-0218094BRN 1963793NSC30119FBGYNJKXMKWETB-UHFFF4-06-00-02065 (Beilstein Handbook Reference)SCHEMBL7493102
Database identifiers
- CAS
588-20-5- PubChem CID
- 95696
- DTXSID
DTXSID10207523- ChEMBL
CHEMBL177299- EC Number
- 806-070-6
- Nikkaji
- J1.072.416C
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 176 °C · 176 °C(Solv: water (7732-18-5))
- Boiling point
- 334.7 · 334.7±27.0 °C(Predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.1 · 3.10±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H302-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
- HazardClass
- IRRITANT
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_class
- IRRITANT
- Hazard statements
- H315-H335-H302-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers20 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Aladdin Scientific[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
安徽凯泽合联医药科技有限公司
Related reactions
1 records
Compound notes
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