Basic information
- CAS
587-64-4- Standard SMILES
O=C(O)COc1cc(Cl)cc(Cl)c1- InChIKey
LXWGIMHMQOCPCR-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O3
- Average molar mass
- 221.03 g/mol
- Monoisotopic mass
- 219.9693994
Names & identifiers
- Preferred name
- 2-(3,5-Dichlorophenoxy)acetic acid
- IUPAC
- 2-(3,5-dichlorophenoxy)acetic acid
- English name
- 2-(3,5-dichlorophenoxy)acetic acid
- Molecular formula
- C8H6Cl2O3
- Molecular weight
- 221.04
Names & synonyms
2-(3,5-dichlorophenoxy)acetic acidRefChem:454694991-288-5587-64-4(3,5-Dichlorophenoxy)acetic acidMFCD040373373,5-D3,5-DICHLOROPHENOXYACETIC ACIDAcetic acid, (3,5-dichlorophenoxy)-NSC 190561Acetic acid,2-(3,5-dichlorophenoxy)-SCHEMBL5274567
Show more names
Acetic acid, 2-(3,5-dichlorophenoxy)-
DTXSID40207399LXWGIMHMQOCPCR-UHFFFAOYSA-N2-(3,5-dichlorophenoxy)aceticacidAAA58764(3,5-dichloro-phenoxy)-acetic acidNSC1905612-(3,5-dichlorophenoxyl)acetic acidAKOS008136952
Database identifiers
- CAS
587-64-4- PubChem CID
- 11484
- DTXSID
DTXSID40207399- EC Number
- 991-288-5
- Nikkaji
- J79.678F
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
- 176
Experimental & physicochemical properties
LogP2.84
Physicochemical properties
- Boiling point
- 316.96 °C · 316.96°C (rough estimate)
- Density
- 1.4564 · 1.4564 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- storage temp.
- Store at Room Tem.
- Water Solubility
- 961.5 mg/L · 961.5mg/L(25 ºC)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- HS Code
- 2918999090 · 2918999090
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers10 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
山东碳氢生物化工有限公司13060081947 13060081947 · [email protected]
Related reactions
1 records
Compound notes
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